# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_czw_20230303_0m
_database_code_depnum_ccdc_archive 'CCDC 2233810'
loop_
_audit_author_name
_audit_author_address
'Zhenwei Chu'
;Department of chemistry, Southern University of Science and Technology
China
;
_audit_update_record             
;
2023-03-06 deposited with the CCDC.	2023-03-14 downloaded from the CCDC.
;
_audit_creation_date             2023-03-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C69 H61 Cl N2 O3 Os P3, Cl, 3.5(C H2 Cl2)'
_chemical_formula_sum            'C72.50 H68 Cl9 N2 O3 Os P3'
_chemical_formula_weight         1617.44
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.1837(3)
_cell_length_b                   20.2111(5)
_cell_length_c                   26.5287(7)
_cell_angle_alpha                90
_cell_angle_beta                 98.736(2)
_cell_angle_gamma                90
_cell_volume                     6986.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9022
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      69.28
_cell_measurement_theta_min      2.76
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.650
_exptl_absorpt_correction_T_max  0.2094
_exptl_absorpt_correction_T_min  0.0891
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1693 before and 0.0661 after correction.
The Ratio of minimum to maximum transmission is 0.4255.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3260
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0524
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            75298
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         69.589
_diffrn_reflns_theta_min         2.760
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11183
_reflns_number_total             12963
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.640
_refine_diff_density_min         -1.233
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.198
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     921
_refine_ls_number_reflns         12963
_refine_ls_number_restraints     163
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0661
_refine_ls_restrained_S_all      1.199
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0158P)²+57.6488P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1461
_refine_ls_wR_factor_ref         0.1510
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O00H-C11
 1.42 with sigma of 0.02
 C4-C11 = C4-C2
 1.54 with sigma of 0.02
 O36-C9
 1.42 with sigma of 0.02
 Cl0C-C3 = Cl-C3 = Cl09-C02D = Cl0B-C02D
 1.79 with sigma of 0.02
 Cl7-C5 = Cl3-C18 = Cl5-C31 = Cl8-C5 = Cl1-C18 = Cl6-C31
 1.79 with sigma of 0.02
 C6-C34 = C35-C34
 1.54 with sigma of 0.02
 C9-C32 = C33-C32
 1.54 with sigma of 0.02
 O36-C6
 1.42 with sigma of 0.02
 C11-C2
 2.53 with sigma of 0.04
 Cl6-Cl1 = Cl8-Cl7
 2.9 with sigma of 0.04
 C6-C35
 2.53 with sigma of 0.04
 C9-C33
 2.53 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C9 \\sim C32 \\sim C33 \\sim C6 \\sim C34 \\sim C35 \\sim C2 \\sim C4 \\sim C11
\\sim O00H \\sim O36 \\sim C025: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(Cl0B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl0B) = Uanis(Cl0C)
Uanis(C02D) = Uanis(C3)
Uanis(Cl09) = Uanis(Cl)
Uanis(Cl7) = Uanis(Cl3) = Uanis(Cl5)
Uanis(Cl8) = Uanis(Cl1) = Uanis(Cl6)
Uanis(C5) = Uanis(C18) = Uanis(C31)
4. Others
 1*[Sof(Cl1)+Sof(Cl3)+Sof(C18)+Sof(H18A)+Sof(H18B)]+1*[Sof(Cl5)+Sof(Cl6)+
 Sof(C31)+Sof(H31A)+Sof(H31B)]+1*[Sof(Cl8)+Sof(Cl7)+Sof(C5)+Sof(H5A)+Sof(H5B)]=
 1 with esd of 0
 1*[Sof(C4)+Sof(H4A)+Sof(H4B)+Sof(C2)+Sof(H2A)+Sof(H2B)+Sof(H2C)+Sof(C11)+
 Sof(H11A)+Sof(H11B)]+1*[Sof(C9)+Sof(H9A)+Sof(H9B)+Sof(C32)+Sof(H32A)+Sof(H32B)+
 Sof(C33)+Sof(H33A)+Sof(H33B)+Sof(H33C)]+1*[Sof(C6)+Sof(H6A)+Sof(H6B)+Sof(C35)+
 Sof(H35A)+Sof(H35B)+Sof(H35C)+Sof(C34)+Sof(H34A)+Sof(H34B)]=1 with esd of 0
 Sof(Cl1)=Sof(Cl3)=Sof(C18)=Sof(H18A)=Sof(H18B)=FVAR(1)
 Sof(Cl)=Sof(Cl0C)=Sof(C3)=Sof(H3A)=Sof(H3B)=1-FVAR(2)
 Sof(Cl09)=Sof(Cl0B)=Sof(C02D)=Sof(H02D)=Sof(H02G)=FVAR(2)
 Sof(Cl5)=Sof(Cl6)=Sof(C31)=Sof(H31A)=Sof(H31B)=FVAR(3)
 Sof(Cl8)=Sof(Cl7)=Sof(C5)=Sof(H5A)=Sof(H5B)=FVAR(4)
 Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(H2C)=Sof(C11)=
 Sof(H11A)=Sof(H11B)=FVAR(5)
 Sof(C9)=Sof(H9A)=Sof(H9B)=Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(C33)=Sof(H33A)=
 Sof(H33B)=Sof(H33C)=FVAR(6)
 Sof(C6)=Sof(H6A)=Sof(H6B)=Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(H35C)=Sof(C34)=
 Sof(H34A)=Sof(H34B)=FVAR(7)
 Fixed Sof: Cl2(0.5) Cl4(0.5) C1(0.5) H1A(0.5) H1B(0.5)
5.a Ternary CH refined with riding coordinates:
 C00L(H00L)
5.b Secondary CH2 refined with riding coordinates:
 C01N(H01A,H01E), C02D(H02D,H02G), C1(H1A,H1B), C9(H9A,H9B), C18(H18A,H18B),
 C4(H4A,H4B), C11(H11A,H11B), C3(H3A,H3B), C5(H5A,H5B), C31(H31A,H31B), C6(H6A,
 H6B), C32(H32A,H32B), C34(H34A,H34B)
5.c Aromatic/amide H refined with riding coordinates:
 C00F(H00F), C00G(H00G), C00K(H00K), C00O(H00O), C00V(H00V), C00W(H00W),
 C00X(H00X), C00Y(H00Y), C00Z(H00Z), C011(H011), C012(H012), C013(H013),
 C014(H014), C015(H015), C016(H016), C018(H018), C019(H019), C01B(H01B),
 C01C(H01C), C01D(H01D), C01F(H01F), C01G(H01G), C01H(H01H), C01I(H01I),
 C01J(H01J), C01L(H01L), C01M(H01M), C01O(H01O), C01P(H01P), C01R(H01R),
 C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W), C01X(H01X),
 C01Y(H01Y), C01Z(H01Z), C020(H020), C021(H021), C022(H022), C023(H023),
 C024(H024), C026(H026), C027(H027), C028(H028), C029(H029), C02A(H02A),
 C02B(H02B), C02C(H02C), C02E(H02E), C02F(H02F)
5.d Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C35(H35A,H35B,H35C), C33(H33A,H33B,H33C)
5.e Idealised tetrahedral OH refined as rotating group:
 O00C(H00C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os01 Os 0.28330(2) 0.72924(2) 0.39048(2) 0.03697(11) Uani 1 1 d . . . . .
Cl02 Cl 0.18211(13) 0.71834(9) 0.46273(7) 0.0427(4) Uani 1 1 d . . . . .
P03 P 0.37984(14) 0.63727(10) 0.43447(8) 0.0404(4) Uani 1 1 d . . . . .
P04 P 0.15912(14) 0.80706(10) 0.35304(8) 0.0414(4) Uani 1 1 d . . . . .
P005 P 0.19333(16) 0.60254(10) 0.24361(8) 0.0445(5) Uani 1 1 d . . . . .
Cl06 Cl 0.55694(19) 0.75744(10) 0.22800(9) 0.0628(6) Uani 1 1 d . . . . .
Cl07 Cl 0.64459(19) 0.52957(13) 0.20623(12) 0.0796(8) Uani 1 1 d . . . . .
Cl08 Cl 0.4898(2) 0.59106(16) 0.13115(11) 0.0846(8) Uani 1 1 d . . . . .
Cl09 Cl -0.0282(2) 0.59351(15) 0.48028(13) 0.0755(9) Uani 0.881(4) 1 d D . P A
1
Cl0B Cl 0.0771(4) 0.5993(3) 0.58514(14) 0.144(2) Uani 0.881(4) 1 d D U P A 1
O00C O 0.4115(4) 0.6620(2) 0.2659(2) 0.0443(12) Uani 1 1 d . . . . .
H00C H 0.452072 0.686725 0.253091 0.066 Uiso 1 1 calc GR . . . .
N00D N 0.3945(5) 0.7957(3) 0.4216(2) 0.0434(15) Uani 1 1 d . . . . .
N00E N 0.4765(5) 0.7960(3) 0.3955(3) 0.0465(16) Uani 1 1 d . . . . .
C00F C 0.2077(6) 0.6650(4) 0.3369(3) 0.0426(18) Uani 1 1 d . . . . .
H00F H 0.149016 0.641055 0.343384 0.051 Uiso 1 1 calc R . . . .
C00G C 0.1228(6) 0.8023(4) 0.2459(3) 0.0453(18) Uani 1 1 d . . . . .
H00G H 0.062903 0.777634 0.249330 0.054 Uiso 1 1 calc R . . . .
O00H O 0.6388(4) 0.8311(3) 0.3914(3) 0.0660(16) Uani 1 1 d D U . . .
C00I C 0.2444(6) 0.6580(4) 0.2924(3) 0.0414(17) Uani 1 1 d . . . . .
C00K C 0.2099(6) 0.5526(4) 0.4202(3) 0.0448(18) Uani 1 1 d . . . . .
H00K H 0.170916 0.591564 0.423149 0.054 Uiso 1 1 calc R . . . .
C00L C 0.3361(5) 0.7016(4) 0.2854(3) 0.0386(16) Uani 1 1 d . . . . .
H00L H 0.312486 0.737323 0.260311 0.046 Uiso 1 1 calc R . . . .
C00N C 0.0225(6) 0.7831(4) 0.3437(3) 0.0473(19) Uani 1 1 d . . . . .
C00O C 0.4641(6) 0.7616(4) 0.3497(3) 0.0421(17) Uani 1 1 d . . . . .
H00O H 0.516651 0.758527 0.328980 0.050 Uiso 1 1 calc R . . . .
C00Q C 0.3706(5) 0.7324(4) 0.3370(3) 0.0392(16) Uani 1 1 d . . . . .
C00R C 0.5088(6) 0.6186(4) 0.4200(3) 0.0434(18) Uani 1 1 d . . . . .
C00S C 0.1463(6) 0.8881(4) 0.3825(4) 0.051(2) Uani 1 1 d . . . . .
C00T C 0.3165(6) 0.5571(4) 0.4236(3) 0.0406(17) Uani 1 1 d . . . . .
C00U C 0.3852(5) 0.8558(4) 0.4488(3) 0.0442(18) Uani 1 1 d . . . . .
C00V C 0.2709(6) 0.8626(4) 0.2825(3) 0.0472(19) Uani 1 1 d . . . . .
H00V H 0.313622 0.879530 0.311752 0.057 Uiso 1 1 calc R . . . .
C00W C 0.3343(7) 0.9074(5) 0.5218(4) 0.057(2) Uani 1 1 d . . . . .
H00W H 0.308843 0.904705 0.553368 0.068 Uiso 1 1 calc R . . . .
C00X C 0.2967(6) 0.8735(4) 0.2348(3) 0.052(2) Uani 1 1 d . . . . .
H00X H 0.356565 0.898109 0.231276 0.062 Uiso 1 1 calc R . . . .
C00Y C 0.1489(6) 0.8134(4) 0.1976(3) 0.052(2) Uani 1 1 d . . . . .
H00Y H 0.106601 0.796454 0.168190 0.062 Uiso 1 1 calc R . . . .
C00Z C 0.2489(6) 0.6710(4) 0.1612(3) 0.0462(18) Uani 1 1 d . . . . .
H00Z H 0.315784 0.671715 0.180434 0.055 Uiso 1 1 calc R . . . .
C010 C 0.1828(6) 0.8268(4) 0.2886(3) 0.0437(18) Uani 1 1 d . . . . .
C011 C 0.2359(6) 0.8488(4) 0.1925(4) 0.053(2) Uani 1 1 d . . . . .
H011 H 0.253874 0.856102 0.159607 0.063 Uiso 1 1 calc R . . . .
C012 C 0.5220(6) 0.6071(4) 0.3699(3) 0.0458(19) Uani 1 1 d . . . . .
H012 H 0.465733 0.613153 0.343329 0.055 Uiso 1 1 calc R . . . .
C013 C -0.0119(6) 0.7268(5) 0.3640(4) 0.058(2) Uani 1 1 d . . . . .
H013 H 0.035900 0.697410 0.382816 0.070 Uiso 1 1 calc R . . . .
C014 C 0.1498(6) 0.9477(4) 0.3560(4) 0.057(2) Uani 1 1 d . . . . .
H014 H 0.165414 0.947975 0.322231 0.069 Uiso 1 1 calc R . . . .
C015 C 0.3452(6) 0.8508(4) 0.4949(3) 0.0488(19) Uani 1 1 d . . . . .
H015 H 0.326161 0.809117 0.507060 0.059 Uiso 1 1 calc R . . . .
C016 C 0.4721(7) 0.7077(4) 0.5794(3) 0.054(2) Uani 1 1 d . . . . .
H016 H 0.507186 0.745671 0.594288 0.065 Uiso 1 1 calc R . . . .
C018 C -0.0077(6) 0.6081(4) 0.2629(3) 0.056(2) Uani 1 1 d . . . . .
H018 H -0.003249 0.654240 0.256629 0.067 Uiso 1 1 calc R . . . .
C019 C 0.4104(6) 0.9168(4) 0.4301(4) 0.054(2) Uani 1 1 d . . . . .
H019 H 0.436619 0.919758 0.398773 0.064 Uiso 1 1 calc R . . . .
C01A C 0.4024(6) 0.6447(4) 0.5045(3) 0.047(2) Uani 1 1 d . . . . .
C01B C 0.2147(7) 0.4366(4) 0.4088(3) 0.057(2) Uani 1 1 d . . . . .
H01B H 0.179859 0.395475 0.403633 0.069 Uiso 1 1 calc R . . . .
C01C C 0.5923(6) 0.6104(4) 0.4582(3) 0.053(2) Uani 1 1 d . . . . .
H01C H 0.584802 0.618557 0.492697 0.064 Uiso 1 1 calc R . . . .
C01D C 0.4405(7) 0.6589(5) 0.6099(3) 0.059(2) Uani 1 1 d . . . . .
H01D H 0.452183 0.663683 0.645924 0.071 Uiso 1 1 calc R . . . .
C01E C 0.1672(7) 0.6413(4) 0.1814(3) 0.0491(19) Uani 1 1 d . . . . .
C01F C 0.3712(6) 0.4984(4) 0.4196(3) 0.0468(19) Uani 1 1 d . . . . .
H01F H 0.443821 0.499851 0.421966 0.056 Uiso 1 1 calc R . . . .
C01G C 0.2312(7) 0.6992(4) 0.1130(3) 0.052(2) Uani 1 1 d . . . . .
H01G H 0.286518 0.718195 0.098855 0.063 Uiso 1 1 calc R . . . .
C01H C 0.1237(8) 0.8892(4) 0.4312(4) 0.064(3) Uani 1 1 d . . . . .
H01H H 0.121794 0.848944 0.449490 0.076 Uiso 1 1 calc R . . . .
C01I C -0.0486(6) 0.8256(5) 0.3165(4) 0.060(2) Uani 1 1 d . . . . .
H01I H -0.025691 0.865711 0.303254 0.072 Uiso 1 1 calc R . . . .
C01J C 0.1607(7) 0.4929(4) 0.4127(3) 0.052(2) Uani 1 1 d . . . . .
H01J H 0.088101 0.491032 0.410098 0.063 Uiso 1 1 calc R . . . .
C01K C 0.0759(6) 0.5677(4) 0.2594(3) 0.0475(19) Uani 1 1 d . . . . .
C01L C 0.3729(6) 0.5961(4) 0.5359(3) 0.048(2) Uani 1 1 d . . . . .
H01L H 0.339274 0.557508 0.521215 0.058 Uiso 1 1 calc R . . . .
C01M C 0.4523(6) 0.7009(4) 0.5267(3) 0.051(2) Uani 1 1 d . . . . .
H01M H 0.472942 0.734772 0.505608 0.062 Uiso 1 1 calc R . . . .
C01N C 0.5438(7) 0.5881(4) 0.1959(4) 0.057(2) Uani 1 1 d . . . . .
H01A H 0.490161 0.576021 0.216580 0.068 Uiso 1 1 calc R . . . .
H01E H 0.570588 0.632334 0.206959 0.068 Uiso 1 1 calc R . . . .
C01O C 0.3213(7) 0.4388(4) 0.4124(3) 0.056(2) Uani 1 1 d . . . . .
H01O H 0.359116 0.399195 0.409934 0.067 Uiso 1 1 calc R . . . .
C01P C 0.0689(7) 0.4999(4) 0.2692(3) 0.053(2) Uani 1 1 d . . . . .
H01P H 0.125353 0.471459 0.266865 0.064 Uiso 1 1 calc R . . . .
C01Q C 0.2788(6) 0.5343(4) 0.2377(3) 0.0490(19) Uani 1 1 d . . . . .
C01R C 0.3914(7) 0.6026(5) 0.5879(3) 0.056(2) Uani 1 1 d . . . . .
H01R H 0.370765 0.568749 0.608950 0.067 Uiso 1 1 calc R . . . .
C01S C 0.1335(8) 0.6998(5) 0.0855(4) 0.065(3) Uani 1 1 d . . . . .
H01S H 0.121795 0.718938 0.052459 0.078 Uiso 1 1 calc R . . . .
C01T C 0.6163(6) 0.5871(4) 0.3578(4) 0.052(2) Uani 1 1 d . . . . .
H01T H 0.623963 0.578782 0.323285 0.063 Uiso 1 1 calc R . . . .
C01U C 0.6986(6) 0.5792(5) 0.3962(4) 0.060(2) Uani 1 1 d . . . . .
H01U H 0.763487 0.566244 0.388135 0.072 Uiso 1 1 calc R . . . .
C01V C 0.3969(7) 0.9730(5) 0.4576(4) 0.063(2) Uani 1 1 d . . . . .
H01V H 0.413124 1.014961 0.444807 0.076 Uiso 1 1 calc R . . . .
C01W C 0.6866(6) 0.5903(5) 0.4465(4) 0.063(3) Uani 1 1 d . . . . .
H01W H 0.742977 0.584108 0.472963 0.076 Uiso 1 1 calc R . . . .
C01X C -0.1032(8) 0.5142(5) 0.2853(4) 0.066(3) Uani 1 1 d . . . . .
H01X H -0.164562 0.495788 0.293986 0.079 Uiso 1 1 calc R . . . .
C01Y C 0.2872(7) 0.5076(4) 0.1906(4) 0.059(2) Uani 1 1 d . . . . .
H01Y H 0.251403 0.527031 0.160476 0.071 Uiso 1 1 calc R . . . .
C01Z C -0.0976(7) 0.5820(5) 0.2754(4) 0.064(3) Uani 1 1 d . . . . .
H01Z H -0.155000 0.609780 0.277328 0.077 Uiso 1 1 calc R . . . .
C020 C 0.3914(8) 0.4502(5) 0.2780(4) 0.070(3) Uani 1 1 d . . . . .
H020 H 0.427110 0.430683 0.308099 0.084 Uiso 1 1 calc R . . . .
C021 C -0.0214(8) 0.4748(5) 0.2824(4) 0.063(2) Uani 1 1 d . . . . .
H021 H -0.025898 0.428980 0.289578 0.075 Uiso 1 1 calc R . . . .
C022 C -0.1158(7) 0.7120(5) 0.3576(4) 0.071(3) Uani 1 1 d . . . . .
H022 H -0.138937 0.673590 0.373001 0.086 Uiso 1 1 calc R . . . .
C023 C 0.3600(8) 0.9693(5) 0.5037(4) 0.067(3) Uani 1 1 d . . . . .
H023 H 0.352249 1.008293 0.522766 0.081 Uiso 1 1 calc R . . . .
C024 C 0.3999(8) 0.4237(5) 0.2311(5) 0.070(3) Uani 1 1 d . . . . .
H024 H 0.441316 0.385695 0.228706 0.084 Uiso 1 1 calc R . . . .
C025 C 0.5751(7) 0.8175(5) 0.4183(4) 0.065(2) Uani 1 1 d . U . . .
C026 C 0.3305(7) 0.5058(5) 0.2811(4) 0.064(2) Uani 1 1 d . . . . .
H026 H 0.324678 0.524157 0.313525 0.076 Uiso 1 1 calc R . . . .
C027 C -0.1860(7) 0.7531(6) 0.3286(5) 0.078(3) Uani 1 1 d . . . . .
H027 H -0.256891 0.742063 0.322779 0.094 Uiso 1 1 calc R . . . .
C028 C 0.0710(7) 0.6421(5) 0.1533(4) 0.066(3) Uani 1 1 d . . . . .
H028 H 0.015922 0.621394 0.166545 0.080 Uiso 1 1 calc R . . . .
C029 C 0.1035(10) 0.9487(6) 0.4541(5) 0.090(4) Uani 1 1 d . . . . .
H029 H 0.086428 0.948696 0.487610 0.108 Uiso 1 1 calc R . . . .
C02A C 0.0523(8) 0.6725(6) 0.1062(4) 0.077(3) Uani 1 1 d . . . . .
H02A H -0.015500 0.674642 0.087986 0.092 Uiso 1 1 calc R . . . .
C02B C 0.1299(8) 1.0068(5) 0.3801(5) 0.077(3) Uani 1 1 d . . . . .
H02B H 0.131622 1.047402 0.362137 0.092 Uiso 1 1 calc R . . . .
C02C C -0.1515(7) 0.8107(6) 0.3084(5) 0.080(3) Uani 1 1 d . . . . .
H02C H -0.198806 0.839742 0.288922 0.096 Uiso 1 1 calc R . . . .
C02D C 0.0871(8) 0.5866(7) 0.5223(4) 0.072(3) Uani 0.881(4) 1 d D . P A 1
H02D H 0.115663 0.541803 0.518731 0.086 Uiso 0.881(4) 1 calc R . P A 1
H02G H 0.136638 0.618915 0.512129 0.086 Uiso 0.881(4) 1 calc R . P A 1
C02E C 0.1081(10) 1.0077(5) 0.4285(5) 0.088(4) Uani 1 1 d . . . . .
H02E H 0.096141 1.048368 0.444529 0.106 Uiso 1 1 calc R . . . .
C02F C 0.3479(8) 0.4524(5) 0.1875(5) 0.073(3) Uani 1 1 d . . . . .
H02F H 0.353850 0.434053 0.155112 0.087 Uiso 1 1 calc R . . . .
O36 O 0.5895(5) 0.8162(4) 0.4672(3) 0.0789(18) Uani 1 1 d D U . . .
Cl2 Cl 0.8353(5) 0.9584(4) 0.4373(3) 0.107(2) Uani 0.5 1 d . . P B 1
Cl4 Cl 0.9313(5) 0.8343(5) 0.4786(3) 0.125(3) Uani 0.5 1 d . . P B 1
C1 C 0.8772(18) 0.8792(13) 0.4218(9) 0.088(7) Uani 0.5 1 d . . P B 1
H1A H 0.929542 0.883605 0.398891 0.105 Uiso 0.5 1 calc R . P B 1
H1B H 0.818530 0.853984 0.403366 0.105 Uiso 0.5 1 calc R . P B 1
Cl1 Cl 0.8828(7) 0.7088(4) 0.6678(4) 0.0807(19) Uani 0.521(3) 1 d D . P C 2
Cl3 Cl 0.7568(5) 0.8257(3) 0.6462(3) 0.1034(19) Uani 0.521(3) 1 d D . P C 2
C9 C 0.6920(18) 0.829(2) 0.4900(13) 0.085(3) Uani 0.323(3) 1 d D U P D 1
H9A H 0.704886 0.877314 0.494428 0.103 Uiso 0.323(3) 1 calc R . P D 1
H9B H 0.742104 0.810109 0.469794 0.103 Uiso 0.323(3) 1 calc R . P D 1
C18 C 0.7681(19) 0.7471(12) 0.6794(14) 0.115(11) Uani 0.521(3) 1 d D . P C 2
H18A H 0.769871 0.754173 0.716458 0.138 Uiso 0.521(3) 1 calc R . P C 2
H18B H 0.708436 0.718660 0.666841 0.138 Uiso 0.521(3) 1 calc R . P C 2
C4 C 0.779(2) 0.7724(19) 0.4558(17) 0.086(4) Uani 0.271(3) 1 d D U P E 2
H4A H 0.732040 0.765063 0.481184 0.103 Uiso 0.271(3) 1 calc R . P E 2
H4B H 0.772934 0.733419 0.432954 0.103 Uiso 0.271(3) 1 calc R . P E 2
C2 C 0.888(3) 0.776(2) 0.4839(17) 0.092(8) Uani 0.271(3) 1 d D U P E 2
H2A H 0.936320 0.773120 0.459307 0.138 Uiso 0.271(3) 1 calc GR . P E 2
H2B H 0.900158 0.738387 0.507796 0.138 Uiso 0.271(3) 1 calc GR . P E 2
H2C H 0.898229 0.817308 0.502861 0.138 Uiso 0.271(3) 1 calc GR . P E 2
C11 C 0.7409(19) 0.8342(18) 0.4236(14) 0.080(4) Uani 0.271(3) 1 d D U P E 2
H11A H 0.740491 0.872040 0.447192 0.096 Uiso 0.271(3) 1 calc R . P E 2
H11B H 0.792199 0.844158 0.401005 0.096 Uiso 0.271(3) 1 calc R . P E 2
Cl Cl 0.0006(16) 0.6525(11) 0.5553(10) 0.0755(9) Uani 0.119(4) 1 d D . P A 2
Cl0C Cl 0.119(3) 0.538(2) 0.5677(11) 0.144(2) Uani 0.119(4) 1 d D . P A 2
C3 C 0.041(6) 0.585(3) 0.5193(18) 0.072(3) Uani 0.119(4) 1 d D . P A 2
H3A H 0.081342 0.601341 0.493119 0.086 Uiso 0.119(4) 1 calc R . P A 2
H3B H -0.018236 0.559377 0.502571 0.086 Uiso 0.119(4) 1 calc R . P A 2
Cl5 Cl 0.7874(12) 0.8187(7) 0.6876(7) 0.1034(19) Uani 0.250(3) 1 d D . P F 1
Cl6 Cl 0.8609(10) 0.6810(9) 0.6848(5) 0.0807(19) Uani 0.250(3) 1 d D . P F 1
Cl8 Cl 0.8679(14) 0.7357(10) 0.6728(8) 0.0807(19) Uani 0.230(3) 1 d D . P G 4
Cl7 Cl 0.7294(12) 0.8079(7) 0.5952(7) 0.1034(19) Uani 0.230(3) 1 d D . P G 4
C5 C 0.738(2) 0.754(4) 0.650(2) 0.115(11) Uani 0.230(3) 1 d D . P G 4
H5A H 0.705895 0.776227 0.676852 0.138 Uiso 0.230(3) 1 calc R . P G 4
H5B H 0.699463 0.712937 0.640057 0.138 Uiso 0.230(3) 1 calc R . P G 4
C31 C 0.761(4) 0.7373(15) 0.663(3) 0.115(11) Uani 0.250(3) 1 d D . P F 1
H31A H 0.696164 0.721270 0.672824 0.138 Uiso 0.250(3) 1 calc R . P F 1
H31B H 0.751825 0.739096 0.624977 0.138 Uiso 0.250(3) 1 calc R . P F 1
C6 C 0.6882(15) 0.8399(14) 0.4908(13) 0.086(4) Uani 0.406(3) 1 d D U P D 3
H6A H 0.684560 0.848859 0.527177 0.103 Uiso 0.406(3) 1 calc R . P D 3
H6B H 0.701464 0.882672 0.474779 0.103 Uiso 0.406(3) 1 calc R . P D 3
C32 C 0.696(3) 0.7940(17) 0.5416(12) 0.088(4) Uani 0.323(3) 1 d D U P D 1
H32A H 0.767386 0.790045 0.558898 0.105 Uiso 0.323(3) 1 calc R . P D 1
H32B H 0.665974 0.749013 0.536592 0.105 Uiso 0.323(3) 1 calc R . P D 1
C35 C 0.769(2) 0.7348(14) 0.5221(12) 0.100(6) Uani 0.406(3) 1 d D U P D 3
H35A H 0.724529 0.701888 0.502815 0.150 Uiso 0.406(3) 1 calc GR . P D 3
H35B H 0.738173 0.749763 0.551424 0.150 Uiso 0.406(3) 1 calc GR . P D 3
H35C H 0.836344 0.714937 0.534140 0.150 Uiso 0.406(3) 1 calc GR . P D 3
C34 C 0.7826(19) 0.7933(14) 0.4880(11) 0.088(3) Uani 0.406(3) 1 d D U P D 3
H34A H 0.783537 0.778455 0.452551 0.106 Uiso 0.406(3) 1 calc R . P D 3
H34B H 0.847620 0.816693 0.500267 0.106 Uiso 0.406(3) 1 calc R . P D 3
C33 C 0.632(3) 0.836(2) 0.5737(14) 0.113(10) Uani 0.323(3) 1 d D U P D 1
H33A H 0.625949 0.881317 0.559920 0.169 Uiso 0.323(3) 1 calc GR . P D 1
H33B H 0.666935 0.837585 0.609097 0.169 Uiso 0.323(3) 1 calc GR . P D 1
H33C H 0.563945 0.816838 0.572512 0.169 Uiso 0.323(3) 1 calc GR . P D 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os01 Cl02 2.5058(17) . ?
Os01 P03 2.4465(19) . ?
Os01 P04 2.3763(19) . ?
Os01 N00D 2.066(7) . ?
Os01 C00F 2.067(8) . ?
Os01 C00Q 1.960(7) . ?
P03 C00R 1.839(8) . ?
P03 C00T 1.826(8) . ?
P03 C01A 1.844(8) . ?
P04 C00N 1.845(8) . ?
P04 C00S 1.834(9) . ?
P04 C010 1.829(8) . ?
P005 C00I 1.767(8) . ?
P005 C01E 1.811(8) . ?
P005 C01K 1.807(8) . ?
P005 C01Q 1.803(8) . ?
Cl07 C01N 1.768(8) . ?
Cl08 C01N 1.757(10) . ?
Cl09 C02D 1.749(11) . ?
Cl0B C02D 1.711(10) . ?
O00C H00C 0.8400 . ?
O00C C00L 1.433(8) . ?
N00D N00E 1.370(8) . ?
N00D C00U 1.428(10) . ?
N00E C00O 1.388(10) . ?
N00E C025 1.416(11) . ?
C00F H00F 0.9500 . ?
C00F C00I 1.349(11) . ?
C00G H00G 0.9500 . ?
C00G C00Y 1.396(11) . ?
C00G C010 1.371(11) . ?
O00H C025 1.212(11) . ?
O00H C11 1.480(18) . ?
C00I C00L 1.528(10) . ?
C00K H00K 0.9500 . ?
C00K C00T 1.397(10) . ?
C00K C01J 1.369(11) . ?
C00L H00L 1.0000 . ?
C00L C00Q 1.509(11) . ?
C00N C013 1.366(12) . ?
C00N C01I 1.391(11) . ?
C00O H00O 0.9500 . ?
C00O C00Q 1.362(10) . ?
C00R C012 1.387(11) . ?
C00R C01C 1.389(11) . ?
C00S C014 1.398(12) . ?
C00S C01H 1.368(13) . ?
C00T C01F 1.401(10) . ?
C00U C015 1.407(11) . ?
C00U C019 1.388(11) . ?
C00V H00V 0.9500 . ?
C00V C00X 1.377(12) . ?
C00V C010 1.397(11) . ?
C00W H00W 0.9500 . ?
C00W C015 1.367(12) . ?
C00W C023 1.400(13) . ?
C00X H00X 0.9500 . ?
C00X C011 1.371(12) . ?
C00Y H00Y 0.9500 . ?
C00Y C011 1.376(12) . ?
C00Z H00Z 0.9500 . ?
C00Z C01E 1.410(11) . ?
C00Z C01G 1.386(11) . ?
C011 H011 0.9500 . ?
C012 H012 0.9500 . ?
C012 C01T 1.390(11) . ?
C013 H013 0.9500 . ?
C013 C022 1.387(12) . ?
C014 H014 0.9500 . ?
C014 C02B 1.399(13) . ?
C015 H015 0.9500 . ?
C016 H016 0.9500 . ?
C016 C01D 1.381(12) . ?
C016 C01M 1.388(12) . ?
C018 H018 0.9500 . ?
C018 C01K 1.387(12) . ?
C018 C01Z 1.383(12) . ?
C019 H019 0.9500 . ?
C019 C01V 1.376(13) . ?
C01A C01L 1.382(11) . ?
C01A C01M 1.397(12) . ?
C01B H01B 0.9500 . ?
C01B C01J 1.355(12) . ?
C01B C01O 1.394(12) . ?
C01C H01C 0.9500 . ?
C01C C01W 1.387(12) . ?
C01D H01D 0.9500 . ?
C01D C01R 1.391(13) . ?
C01E C028 1.371(12) . ?
C01F H01F 0.9500 . ?
C01F C01O 1.372(11) . ?
C01G H01G 0.9500 . ?
C01G C01S 1.380(13) . ?
C01H H01H 0.9500 . ?
C01H C029 1.392(14) . ?
C01I H01I 0.9500 . ?
C01I C02C 1.373(13) . ?
C01J H01J 0.9500 . ?
C01K C01P 1.399(11) . ?
C01L H01L 0.9500 . ?
C01L C01R 1.370(12) . ?
C01M H01M 0.9500 . ?
C01N H01A 0.9900 . ?
C01N H01E 0.9900 . ?
C01O H01O 0.9500 . ?
C01P H01P 0.9500 . ?
C01P C021 1.387(12) . ?
C01Q C01Y 1.381(12) . ?
C01Q C026 1.373(12) . ?
C01R H01R 0.9500 . ?
C01S H01S 0.9500 . ?
C01S C02A 1.389(14) . ?
C01T H01T 0.9500 . ?
C01T C01U 1.381(12) . ?
C01U H01U 0.9500 . ?
C01U C01W 1.386(13) . ?
C01V H01V 0.9500 . ?
C01V C023 1.384(14) . ?
C01W H01W 0.9500 . ?
C01X H01X 0.9500 . ?
C01X C01Z 1.399(14) . ?
C01X C021 1.351(14) . ?
C01Y H01Y 0.9500 . ?
C01Y C02F 1.383(13) . ?
C01Z H01Z 0.9500 . ?
C020 H020 0.9500 . ?
C020 C024 1.374(15) . ?
C020 C026 1.391(13) . ?
C021 H021 0.9500 . ?
C022 H022 0.9500 . ?
C022 C027 1.386(15) . ?
C023 H023 0.9500 . ?
C024 H024 0.9500 . ?
C024 C02F 1.378(15) . ?
C025 O36 1.283(12) . ?
C026 H026 0.9500 . ?
C027 H027 0.9500 . ?
C027 C02C 1.388(16) . ?
C028 H028 0.9500 . ?
C028 C02A 1.382(13) . ?
C029 H029 0.9500 . ?
C029 C02E 1.376(16) . ?
C02A H02A 0.9500 . ?
C02B H02B 0.9500 . ?
C02B C02E 1.359(16) . ?
C02C H02C 0.9500 . ?
C02D H02D 0.9900 . ?
C02D H02G 0.9900 . ?
C02E H02E 0.9500 . ?
C02F H02F 0.9500 . ?
O36 C9 1.420(19) . ?
O36 C6 1.438(17) . ?
Cl2 C1 1.76(2) . ?
Cl4 C1 1.81(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
Cl1 C18 1.768(19) . ?
Cl3 C18 1.812(19) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C32 1.54(2) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C2 1.521(19) . ?
C4 C11 1.552(19) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
Cl C3 1.79(2) . ?
Cl0C C3 1.80(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
Cl5 C31 1.79(2) . ?
Cl6 C31 1.77(2) . ?
Cl8 C5 1.77(2) . ?
Cl7 C5 1.80(2) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C34 1.571(19) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.539(19) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C35 C34 1.514(18) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P03 Os01 Cl02 82.37(6) . . ?
P04 Os01 Cl02 87.98(6) . . ?
P04 Os01 P03 167.88(6) . . ?
N00D Os01 Cl02 100.32(18) . . ?
N00D Os01 P03 90.99(18) . . ?
N00D Os01 P04 97.96(18) . . ?
N00D Os01 C00F 157.3(3) . . ?
C00F Os01 Cl02 102.3(2) . . ?
C00F Os01 P03 90.7(2) . . ?
C00F Os01 P04 84.2(2) . . ?
C00Q Os01 Cl02 175.2(2) . . ?
C00Q Os01 P03 92.9(2) . . ?
C00Q Os01 P04 96.8(2) . . ?
C00Q Os01 N00D 79.0(3) . . ?
C00Q Os01 C00F 78.3(3) . . ?
C00R P03 Os01 119.1(2) . . ?
C00R P03 C01A 102.4(4) . . ?
C00T P03 Os01 114.0(3) . . ?
C00T P03 C00R 101.5(4) . . ?
C00T P03 C01A 103.4(4) . . ?
C01A P03 Os01 114.3(3) . . ?
C00N P04 Os01 118.6(3) . . ?
C00S P04 Os01 121.0(3) . . ?
C00S P04 C00N 98.0(4) . . ?
C010 P04 Os01 109.3(2) . . ?
C010 P04 C00N 103.5(4) . . ?
C010 P04 C00S 104.1(4) . . ?
C00I P005 C01E 113.0(4) . . ?
C00I P005 C01K 108.8(4) . . ?
C00I P005 C01Q 112.0(4) . . ?
C01K P005 C01E 109.2(4) . . ?
C01Q P005 C01E 106.7(4) . . ?
C01Q P005 C01K 106.9(4) . . ?
C00L O00C H00C 109.5 . . ?
N00E N00D Os01 111.6(5) . . ?
N00E N00D C00U 112.8(6) . . ?
C00U N00D Os01 130.2(5) . . ?
N00D N00E C00O 116.3(6) . . ?
N00D N00E C025 122.0(7) . . ?
C00O N00E C025 120.4(7) . . ?
Os01 C00F H00F 121.1 . . ?
C00I C00F Os01 117.9(6) . . ?
C00I C00F H00F 121.1 . . ?
C00Y C00G H00G 119.7 . . ?
C010 C00G H00G 119.7 . . ?
C010 C00G C00Y 120.6(8) . . ?
C025 O00H C11 108.7(18) . . ?
C00F C00I P005 124.0(6) . . ?
C00F C00I C00L 116.2(7) . . ?
C00L C00I P005 119.8(5) . . ?
C00T C00K H00K 119.5 . . ?
C01J C00K H00K 119.5 . . ?
C01J C00K C00T 121.0(7) . . ?
O00C C00L C00I 109.1(6) . . ?
O00C C00L H00L 109.0 . . ?
O00C C00L C00Q 115.4(6) . . ?
C00I C00L H00L 109.0 . . ?
C00Q C00L C00I 105.3(6) . . ?
C00Q C00L H00L 109.0 . . ?
C013 C00N P04 122.8(6) . . ?
C013 C00N C01I 118.8(8) . . ?
C01I C00N P04 118.3(7) . . ?
N00E C00O H00O 122.7 . . ?
C00Q C00O N00E 114.6(7) . . ?
C00Q C00O H00O 122.7 . . ?
C00L C00Q Os01 120.9(5) . . ?
C00O C00Q Os01 116.3(6) . . ?
C00O C00Q C00L 122.8(7) . . ?
C012 C00R P03 119.3(6) . . ?
C012 C00R C01C 118.6(7) . . ?
C01C C00R P03 121.9(6) . . ?
C014 C00S P04 122.9(7) . . ?
C01H C00S P04 117.6(6) . . ?
C01H C00S C014 119.3(8) . . ?
C00K C00T P03 119.9(6) . . ?
C00K C00T C01F 117.7(7) . . ?
C01F C00T P03 122.3(6) . . ?
C015 C00U N00D 116.8(7) . . ?
C019 C00U N00D 122.1(7) . . ?
C019 C00U C015 121.1(8) . . ?
C00X C00V H00V 119.6 . . ?
C00X C00V C010 120.9(8) . . ?
C010 C00V H00V 119.6 . . ?
C015 C00W H00W 119.4 . . ?
C015 C00W C023 121.2(9) . . ?
C023 C00W H00W 119.4 . . ?
C00V C00X H00X 120.0 . . ?
C011 C00X C00V 120.0(8) . . ?
C011 C00X H00X 120.0 . . ?
C00G C00Y H00Y 120.1 . . ?
C011 C00Y C00G 119.9(9) . . ?
C011 C00Y H00Y 120.1 . . ?
C01E C00Z H00Z 120.1 . . ?
C01G C00Z H00Z 120.1 . . ?
C01G C00Z C01E 119.7(8) . . ?
C00G C010 P04 122.2(6) . . ?
C00G C010 C00V 118.6(8) . . ?
C00V C010 P04 118.9(6) . . ?
C00X C011 C00Y 120.1(8) . . ?
C00X C011 H011 119.9 . . ?
C00Y C011 H011 119.9 . . ?
C00R C012 H012 119.4 . . ?
C00R C012 C01T 121.1(8) . . ?
C01T C012 H012 119.4 . . ?
C00N C013 H013 119.6 . . ?
C00N C013 C022 120.7(9) . . ?
C022 C013 H013 119.6 . . ?
C00S C014 H014 120.5 . . ?
C00S C014 C02B 118.9(10) . . ?
C02B C014 H014 120.5 . . ?
C00U C015 H015 120.8 . . ?
C00W C015 C00U 118.5(8) . . ?
C00W C015 H015 120.8 . . ?
C01D C016 H016 120.3 . . ?
C01D C016 C01M 119.4(9) . . ?
C01M C016 H016 120.3 . . ?
C01K C018 H018 119.7 . . ?
C01Z C018 H018 119.7 . . ?
C01Z C018 C01K 120.6(9) . . ?
C00U C019 H019 120.4 . . ?
C01V C019 C00U 119.1(9) . . ?
C01V C019 H019 120.4 . . ?
C01L C01A P03 122.1(7) . . ?
C01L C01A C01M 118.9(8) . . ?
C01M C01A P03 119.0(6) . . ?
C01J C01B H01B 119.9 . . ?
C01J C01B C01O 120.3(8) . . ?
C01O C01B H01B 119.9 . . ?
C00R C01C H01C 119.7 . . ?
C01W C01C C00R 120.6(9) . . ?
C01W C01C H01C 119.7 . . ?
C016 C01D H01D 120.0 . . ?
C016 C01D C01R 120.0(8) . . ?
C01R C01D H01D 120.0 . . ?
C00Z C01E P005 118.8(6) . . ?
C028 C01E P005 122.3(7) . . ?
C028 C01E C00Z 119.0(8) . . ?
C00T C01F H01F 119.6 . . ?
C01O C01F C00T 120.8(8) . . ?
C01O C01F H01F 119.6 . . ?
C00Z C01G H01G 119.9 . . ?
C01S C01G C00Z 120.2(8) . . ?
C01S C01G H01G 119.9 . . ?
C00S C01H H01H 119.7 . . ?
C00S C01H C029 120.6(9) . . ?
C029 C01H H01H 119.7 . . ?
C00N C01I H01I 119.4 . . ?
C02C C01I C00N 121.1(10) . . ?
C02C C01I H01I 119.4 . . ?
C00K C01J H01J 119.7 . . ?
C01B C01J C00K 120.5(8) . . ?
C01B C01J H01J 119.7 . . ?
C018 C01K P005 120.2(6) . . ?
C018 C01K C01P 119.3(8) . . ?
C01P C01K P005 120.5(7) . . ?
C01A C01L H01L 119.6 . . ?
C01R C01L C01A 120.9(9) . . ?
C01R C01L H01L 119.6 . . ?
C016 C01M C01A 120.6(8) . . ?
C016 C01M H01M 119.7 . . ?
C01A C01M H01M 119.7 . . ?
Cl07 C01N H01A 109.4 . . ?
Cl07 C01N H01E 109.4 . . ?
Cl08 C01N Cl07 111.0(5) . . ?
Cl08 C01N H01A 109.4 . . ?
Cl08 C01N H01E 109.4 . . ?
H01A C01N H01E 108.0 . . ?
C01B C01O H01O 120.2 . . ?
C01F C01O C01B 119.6(8) . . ?
C01F C01O H01O 120.2 . . ?
C01K C01P H01P 120.4 . . ?
C021 C01P C01K 119.2(9) . . ?
C021 C01P H01P 120.4 . . ?
C01Y C01Q P005 121.0(7) . . ?
C026 C01Q P005 119.1(7) . . ?
C026 C01Q C01Y 119.8(8) . . ?
C01D C01R H01R 119.9 . . ?
C01L C01R C01D 120.2(8) . . ?
C01L C01R H01R 119.9 . . ?
C01G C01S H01S 119.9 . . ?
C01G C01S C02A 120.2(9) . . ?
C02A C01S H01S 119.9 . . ?
C012 C01T H01T 120.2 . . ?
C01U C01T C012 119.5(8) . . ?
C01U C01T H01T 120.2 . . ?
C01T C01U H01U 120.0 . . ?
C01T C01U C01W 120.1(8) . . ?
C01W C01U H01U 120.0 . . ?
C019 C01V H01V 119.5 . . ?
C019 C01V C023 121.0(9) . . ?
C023 C01V H01V 119.5 . . ?
C01C C01W H01W 120.0 . . ?
C01U C01W C01C 120.0(9) . . ?
C01U C01W H01W 120.0 . . ?
C01Z C01X H01X 120.0 . . ?
C021 C01X H01X 120.0 . . ?
C021 C01X C01Z 120.0(9) . . ?
C01Q C01Y H01Y 120.1 . . ?
C01Q C01Y C02F 119.8(9) . . ?
C02F C01Y H01Y 120.1 . . ?
C018 C01Z C01X 119.4(9) . . ?
C018 C01Z H01Z 120.3 . . ?
C01X C01Z H01Z 120.3 . . ?
C024 C020 H020 120.1 . . ?
C024 C020 C026 119.8(10) . . ?
C026 C020 H020 120.1 . . ?
C01P C021 H021 119.3 . . ?
C01X C021 C01P 121.5(9) . . ?
C01X C021 H021 119.3 . . ?
C013 C022 H022 119.9 . . ?
C027 C022 C013 120.3(10) . . ?
C027 C022 H022 119.9 . . ?
C00W C023 H023 120.4 . . ?
C01V C023 C00W 119.1(9) . . ?
C01V C023 H023 120.4 . . ?
C020 C024 H024 120.1 . . ?
C020 C024 C02F 119.8(9) . . ?
C02F C024 H024 120.1 . . ?
O00H C025 N00E 119.5(9) . . ?
O00H C025 O36 126.1(9) . . ?
O36 C025 N00E 114.2(8) . . ?
C01Q C026 C020 120.4(10) . . ?
C01Q C026 H026 119.8 . . ?
C020 C026 H026 119.8 . . ?
C022 C027 H027 120.5 . . ?
C022 C027 C02C 119.1(9) . . ?
C02C C027 H027 120.5 . . ?
C01E C028 H028 119.3 . . ?
C01E C028 C02A 121.4(9) . . ?
C02A C028 H028 119.3 . . ?
C01H C029 H029 119.8 . . ?
C02E C029 C01H 120.5(12) . . ?
C02E C029 H029 119.8 . . ?
C01S C02A H02A 120.3 . . ?
C028 C02A C01S 119.4(10) . . ?
C028 C02A H02A 120.3 . . ?
C014 C02B H02B 119.2 . . ?
C02E C02B C014 121.5(10) . . ?
C02E C02B H02B 119.2 . . ?
C01I C02C C027 119.9(10) . . ?
C01I C02C H02C 120.1 . . ?
C027 C02C H02C 120.1 . . ?
Cl09 C02D H02D 108.5 . . ?
Cl09 C02D H02G 108.5 . . ?
Cl0B C02D Cl09 114.9(7) . . ?
Cl0B C02D H02D 108.5 . . ?
Cl0B C02D H02G 108.5 . . ?
H02D C02D H02G 107.5 . . ?
C029 C02E H02E 120.4 . . ?
C02B C02E C029 119.1(10) . . ?
C02B C02E H02E 120.4 . . ?
C01Y C02F H02F 119.7 . . ?
C024 C02F C01Y 120.5(10) . . ?
C024 C02F H02F 119.7 . . ?
C025 O36 C9 114.3(16) . . ?
C025 O36 C6 114.7(17) . . ?
Cl2 C1 Cl4 111.0(13) . . ?
Cl2 C1 H1A 109.4 . . ?
Cl2 C1 H1B 109.4 . . ?
Cl4 C1 H1A 109.4 . . ?
Cl4 C1 H1B 109.4 . . ?
H1A C1 H1B 108.0 . . ?
O36 C9 H9A 111.6 . . ?
O36 C9 H9B 111.6 . . ?
O36 C9 C32 101(2) . . ?
H9A C9 H9B 109.4 . . ?
C32 C9 H9A 111.6 . . ?
C32 C9 H9B 111.6 . . ?
Cl1 C18 Cl3 108.0(14) . . ?
Cl1 C18 H18A 110.1 . . ?
Cl1 C18 H18B 110.1 . . ?
Cl3 C18 H18A 110.1 . . ?
Cl3 C18 H18B 110.1 . . ?
H18A C18 H18B 108.4 . . ?
H4A C4 H4B 107.4 . . ?
C2 C4 H4A 108.3 . . ?
C2 C4 H4B 108.3 . . ?
C2 C4 C11 116(2) . . ?
C11 C4 H4A 108.3 . . ?
C11 C4 H4B 108.3 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O00H C11 C4 118(2) . . ?
O00H C11 H11A 107.8 . . ?
O00H C11 H11B 107.8 . . ?
C4 C11 H11A 107.8 . . ?
C4 C11 H11B 107.8 . . ?
H11A C11 H11B 107.1 . . ?
Cl C3 Cl0C 102(3) . . ?
Cl C3 H3A 111.3 . . ?
Cl C3 H3B 111.4 . . ?
Cl0C C3 H3A 111.3 . . ?
Cl0C C3 H3B 111.4 . . ?
H3A C3 H3B 109.2 . . ?
Cl8 C5 Cl7 110.1(18) . . ?
Cl8 C5 H5A 109.6 . . ?
Cl8 C5 H5B 109.6 . . ?
Cl7 C5 H5A 109.6 . . ?
Cl7 C5 H5B 109.6 . . ?
H5A C5 H5B 108.2 . . ?
Cl5 C31 H31A 109.2 . . ?
Cl5 C31 H31B 109.2 . . ?
Cl6 C31 Cl5 112.1(19) . . ?
Cl6 C31 H31A 109.2 . . ?
Cl6 C31 H31B 109.2 . . ?
H31A C31 H31B 107.9 . . ?
O36 C6 H6A 108.1 . . ?
O36 C6 H6B 108.1 . . ?
O36 C6 C34 117(2) . . ?
H6A C6 H6B 107.3 . . ?
C34 C6 H6A 108.1 . . ?
C34 C6 H6B 108.1 . . ?
C9 C32 H32A 110.4 . . ?
C9 C32 H32B 110.4 . . ?
C9 C32 C33 107(2) . . ?
H32A C32 H32B 108.6 . . ?
C33 C32 H32A 110.4 . . ?
C33 C32 H32B 110.4 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
C6 C34 H34A 110.5 . . ?
C6 C34 H34B 110.5 . . ?
C35 C34 C6 106(2) . . ?
C35 C34 H34A 110.5 . . ?
C35 C34 H34B 110.5 . . ?
H34A C34 H34B 108.7 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Os01 P03 C00R C012 -55.0(7) . . . . ?
Os01 P03 C00R C01C 130.3(6) . . . . ?
Os01 P03 C00T C00K -37.3(7) . . . . ?
Os01 P03 C00T C01F 144.3(6) . . . . ?
Os01 P03 C01A C01L 124.3(6) . . . . ?
Os01 P03 C01A C01M -56.6(7) . . . . ?
Os01 P04 C00N C013 9.9(9) . . . . ?
Os01 P04 C00N C01I -172.6(6) . . . . ?
Os01 P04 C00S C014 126.4(6) . . . . ?
Os01 P04 C00S C01H -59.3(8) . . . . ?
Os01 P04 C010 C00G 104.8(6) . . . . ?
Os01 P04 C010 C00V -68.6(6) . . . . ?
Os01 N00D N00E C00O 10.1(8) . . . . ?
Os01 N00D N00E C025 -156.8(6) . . . . ?
Os01 N00D C00U C015 61.4(9) . . . . ?
Os01 N00D C00U C019 -116.2(7) . . . . ?
Os01 C00F C00I P005 176.9(4) . . . . ?
Os01 C00F C00I C00L -2.8(9) . . . . ?
P03 C00R C012 C01T -174.2(6) . . . . ?
P03 C00R C01C C01W 174.0(7) . . . . ?
P03 C00T C01F C01O 178.8(6) . . . . ?
P03 C01A C01L C01R 179.4(6) . . . . ?
P03 C01A C01M C016 -179.0(6) . . . . ?
P04 C00N C013 C022 177.6(7) . . . . ?
P04 C00N C01I C02C -179.8(8) . . . . ?
P04 C00S C014 C02B 174.2(7) . . . . ?
P04 C00S C01H C029 -174.0(9) . . . . ?
P005 C00I C00L O00C -45.6(8) . . . . ?
P005 C00I C00L C00Q -170.0(5) . . . . ?
P005 C01E C028 C02A 179.4(9) . . . . ?
P005 C01K C01P C021 178.5(7) . . . . ?
P005 C01Q C01Y C02F -175.5(7) . . . . ?
P005 C01Q C026 C020 175.5(7) . . . . ?
O00C C00L C00Q Os01 -134.1(5) . . . . ?
O00C C00L C00Q C00O 43.4(10) . . . . ?
N00D N00E C00O C00Q 0.5(10) . . . . ?
N00D N00E C025 O00H -163.4(8) . . . . ?
N00D N00E C025 O36 21.0(12) . . . . ?
N00D C00U C015 C00W -179.5(7) . . . . ?
N00D C00U C019 C01V 178.2(8) . . . . ?
N00E N00D C00U C015 -147.5(7) . . . . ?
N00E N00D C00U C019 34.9(10) . . . . ?
N00E C00O C00Q Os01 -11.8(9) . . . . ?
N00E C00O C00Q C00L 170.6(6) . . . . ?
N00E C025 O36 C9 172(2) . . . . ?
N00E C025 O36 C6 -178.1(14) . . . . ?
C00F C00I C00L O00C 134.1(7) . . . . ?
C00F C00I C00L C00Q 9.8(9) . . . . ?
C00G C00Y C011 C00X -0.3(12) . . . . ?
O00H C025 O36 C9 -3(3) . . . . ?
O00H C025 O36 C6 6.5(19) . . . . ?
C00I P005 C01E C00Z 59.6(8) . . . . ?
C00I P005 C01E C028 -120.9(8) . . . . ?
C00I P005 C01K C018 63.3(8) . . . . ?
C00I P005 C01K C01P -115.4(7) . . . . ?
C00I P005 C01Q C01Y -144.1(7) . . . . ?
C00I P005 C01Q C026 40.5(8) . . . . ?
C00I C00L C00Q Os01 -13.8(8) . . . . ?
C00I C00L C00Q C00O 163.7(7) . . . . ?
C00K C00T C01F C01O 0.3(12) . . . . ?
C00N P04 C00S C014 -103.1(7) . . . . ?
C00N P04 C00S C01H 71.2(8) . . . . ?
C00N P04 C010 C00G -22.5(7) . . . . ?
C00N P04 C010 C00V 164.1(6) . . . . ?
C00N C013 C022 C027 2.4(15) . . . . ?
C00N C01I C02C C027 1.6(16) . . . . ?
C00O N00E C025 O00H 30.3(13) . . . . ?
C00O N00E C025 O36 -145.4(8) . . . . ?
C00R P03 C00T C00K -166.7(6) . . . . ?
C00R P03 C00T C01F 14.8(7) . . . . ?
C00R P03 C01A C01L -105.4(7) . . . . ?
C00R P03 C01A C01M 73.6(7) . . . . ?
C00R C012 C01T C01U -0.9(12) . . . . ?
C00R C01C C01W C01U 1.0(14) . . . . ?
C00S P04 C00N C013 -122.1(8) . . . . ?
C00S P04 C00N C01I 55.3(8) . . . . ?
C00S P04 C010 C00G -124.6(7) . . . . ?
C00S P04 C010 C00V 62.1(7) . . . . ?
C00S C014 C02B C02E 0.5(15) . . . . ?
C00S C01H C029 C02E -1.4(18) . . . . ?
C00T P03 C00R C012 71.2(7) . . . . ?
C00T P03 C00R C01C -103.6(7) . . . . ?
C00T P03 C01A C01L -0.1(7) . . . . ?
C00T P03 C01A C01M 178.9(6) . . . . ?
C00T C00K C01J C01B 0.6(13) . . . . ?
C00T C01F C01O C01B 0.3(13) . . . . ?
C00U N00D N00E C00O -146.6(7) . . . . ?
C00U N00D N00E C025 46.6(10) . . . . ?
C00U C019 C01V C023 0.9(14) . . . . ?
C00V C00X C011 C00Y 0.3(12) . . . . ?
C00X C00V C010 P04 174.2(6) . . . . ?
C00X C00V C010 C00G 0.5(11) . . . . ?
C00Y C00G C010 P04 -173.9(6) . . . . ?
C00Y C00G C010 C00V -0.5(11) . . . . ?
C00Z C01E C028 C02A -1.2(15) . . . . ?
C00Z C01G C01S C02A 0.4(14) . . . . ?
C010 P04 C00N C013 131.2(8) . . . . ?
C010 P04 C00N C01I -51.3(8) . . . . ?
C010 P04 C00S C014 3.1(8) . . . . ?
C010 P04 C00S C01H 177.4(7) . . . . ?
C010 C00G C00Y C011 0.4(11) . . . . ?
C010 C00V C00X C011 -0.4(12) . . . . ?
C012 C00R C01C C01W -0.8(12) . . . . ?
C012 C01T C01U C01W 1.1(13) . . . . ?
C013 C00N C01I C02C -2.2(14) . . . . ?
C013 C022 C027 C02C -3.0(16) . . . . ?
C014 C00S C01H C029 0.6(15) . . . . ?
C014 C02B C02E C029 -1.3(18) . . . . ?
C015 C00U C019 C01V 0.7(12) . . . . ?
C015 C00W C023 C01V 0.1(15) . . . . ?
C016 C01D C01R C01L -1.1(12) . . . . ?
C018 C01K C01P C021 -0.2(13) . . . . ?
C019 C00U C015 C00W -1.8(12) . . . . ?
C019 C01V C023 C00W -1.3(15) . . . . ?
C01A P03 C00R C012 177.8(6) . . . . ?
C01A P03 C00R C01C 3.0(8) . . . . ?
C01A P03 C00T C00K 87.4(7) . . . . ?
C01A P03 C00T C01F -91.1(7) . . . . ?
C01A C01L C01R C01D 0.1(12) . . . . ?
C01C C00R C012 C01T 0.8(12) . . . . ?
C01D C016 C01M C01A -1.1(12) . . . . ?
C01E P005 C00I C00F 129.9(7) . . . . ?
C01E P005 C00I C00L -50.4(7) . . . . ?
C01E P005 C01K C018 -60.5(8) . . . . ?
C01E P005 C01K C01P 120.8(7) . . . . ?
C01E P005 C01Q C01Y -19.9(8) . . . . ?
C01E P005 C01Q C026 164.7(7) . . . . ?
C01E C00Z C01G C01S 1.8(12) . . . . ?
C01E C028 C02A C01S 3.3(17) . . . . ?
C01G C00Z C01E P005 178.1(6) . . . . ?
C01G C00Z C01E C028 -1.4(13) . . . . ?
C01G C01S C02A C028 -2.9(17) . . . . ?
C01H C00S C014 C02B -0.1(13) . . . . ?
C01H C029 C02E C02B 1.8(19) . . . . ?
C01I C00N C013 C022 0.2(14) . . . . ?
C01J C00K C00T P03 -179.2(6) . . . . ?
C01J C00K C00T C01F -0.7(12) . . . . ?
C01J C01B C01O C01F -0.4(14) . . . . ?
C01K P005 C00I C00F 8.5(8) . . . . ?
C01K P005 C00I C00L -171.9(6) . . . . ?
C01K P005 C01E C00Z -179.1(6) . . . . ?
C01K P005 C01E C028 0.3(9) . . . . ?
C01K P005 C01Q C01Y 96.7(8) . . . . ?
C01K P005 C01Q C026 -78.6(8) . . . . ?
C01K C018 C01Z C01X 0.9(14) . . . . ?
C01K C01P C021 C01X 0.9(14) . . . . ?
C01L C01A C01M C016 0.1(12) . . . . ?
C01M C016 C01D C01R 1.6(12) . . . . ?
C01M C01A C01L C01R 0.4(12) . . . . ?
C01O C01B C01J C00K -0.1(14) . . . . ?
C01Q P005 C00I C00F -109.6(7) . . . . ?
C01Q P005 C00I C00L 70.1(7) . . . . ?
C01Q P005 C01E C00Z -64.0(7) . . . . ?
C01Q P005 C01E C028 115.5(8) . . . . ?
C01Q P005 C01K C018 -175.5(7) . . . . ?
C01Q P005 C01K C01P 5.8(8) . . . . ?
C01Q C01Y C02F C024 0.2(15) . . . . ?
C01T C01U C01W C01C -1.1(14) . . . . ?
C01Y C01Q C026 C020 0.1(14) . . . . ?
C01Z C018 C01K P005 -179.4(7) . . . . ?
C01Z C018 C01K C01P -0.7(13) . . . . ?
C01Z C01X C021 C01P -0.8(15) . . . . ?
C020 C024 C02F C01Y -0.1(16) . . . . ?
C021 C01X C01Z C018 -0.1(15) . . . . ?
C022 C027 C02C C01I 1.0(17) . . . . ?
C023 C00W C015 C00U 1.4(13) . . . . ?
C024 C020 C026 C01Q 0.0(15) . . . . ?
C025 N00E C00O C00Q 167.6(7) . . . . ?
C025 O00H C11 C4 56(4) . . . . ?
C025 O36 C9 C32 -155.0(19) . . . . ?
C025 O36 C6 C34 -74(3) . . . . ?
C026 C01Q C01Y C02F -0.2(14) . . . . ?
C026 C020 C024 C02F 0.0(16) . . . . ?
O36 C9 C32 C33 -73(4) . . . . ?
O36 C6 C34 C35 -69(3) . . . . ?
C2 C4 C11 O00H 174(4) . . . . ?
C11 O00H C025 N00E -164.8(18) . . . . ?
C11 O00H C025 O36 10(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_czw_mr_231_1_20221104_0m
_database_code_depnum_ccdc_archive 'CCDC 2233815'
loop_
_audit_author_name
_audit_author_address
'Zhenwei Chu'
;department of chemistry, Southern University of Science and Technology
China
;
_audit_update_record             
;
2023-01-02 deposited with the CCDC.	2023-03-14 downloaded from the CCDC.
;
_audit_creation_date             2022-11-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C66 H52 F N2 O Os P3, 2(F6 Sb), 2(C H2 Cl2)'
_chemical_formula_sum            'C68 H56 Cl4 F13 N2 O Os P3 Sb2'
_chemical_formula_weight         1832.55
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7175(7)
_cell_length_b                   13.7798(8)
_cell_length_c                   21.3973(9)
_cell_angle_alpha                98.994(2)
_cell_angle_beta                 98.356(2)
_cell_angle_gamma                94.226(4)
_cell_volume                     3359.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2124
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      66.58
_cell_measurement_theta_min      24.54
_shelx_estimated_absorpt_T_max   0.631
_shelx_estimated_absorpt_T_min   0.430
_exptl_absorpt_coefficient_mu    12.672
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.5048
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0742 before and 0.0460 after correction.
The Ratio of minimum to maximum transmission is 0.6706.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.811
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1788
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            46595
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        66.643
_diffrn_reflns_theta_max         66.643
_diffrn_reflns_theta_min         2.117
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Bruker PHOTON II area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CMOS area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.11
_diffrn_source_power             0.05550000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11356
_reflns_number_total             11820
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2014'
_refine_diff_density_max         1.903
_refine_diff_density_min         -0.935
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         11820
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0230
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0152P)²+7.3716P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0524
_refine_ls_wR_factor_ref         0.0531
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C02J(H02N,H02O), C02M(H02J,H02M)
2.b Aromatic/amide H refined with riding coordinates:
 C00Q(H00Q), C00T(H00T), C00U(H00U), C00W(H00W), C00Z(H00Z), C010(H010),
 C013(H013), C014(H014), C015(H015), C016(H016), C018(H018), C01A(H01A),
 C01B(H01B), C01D(H01D), C01E(H01E), C01G(H01G), C01H(H01H), C01I(H01I),
 C01L(H01L), C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q),
 C01R(H01R), C01S(H01S), C01U(H01U), C01V(H01V), C01W(H01W), C01X(H01X),
 C01Y(H01Y), C01Z(H01Z), C020(H020), C022(H022), C023(H023), C024(H024),
 C025(H025), C026(H026), C027(H027), C028(H028), C029(H029), C02A(H02A),
 C02B(H02B), C02C(H02C), C02D(H02D), C02E(H02E), C02F(H02F), C02G(H02G),
 C02H(H02H), C02I(H02I), C02K(H02K), C02L(H02L)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os01 Os 0.61860(2) 0.59993(2) 0.23666(2) 0.01027(4) Uani 1 1 d . . . . .
Sb02 Sb 0.81414(2) 0.81616(2) 0.55500(2) 0.01674(5) Uani 1 1 d . . . . .
Sb03 Sb 0.30159(2) 0.24962(2) 0.01704(2) 0.01848(5) Uani 1 1 d . . . . .
P004 P 0.74770(6) 0.93368(5) 0.25228(3) 0.01247(14) Uani 1 1 d . . . . .
P005 P 0.82021(6) 0.56326(5) 0.24677(3) 0.01140(14) Uani 1 1 d . . . . .
P006 P 0.41886(6) 0.63901(5) 0.23543(3) 0.01223(14) Uani 1 1 d . . . . .
Cl3 Cl 0.81098(9) 0.37987(7) 0.53037(4) 0.0436(2) Uani 1 1 d . . . . .
Cl2 Cl 0.55896(10) 0.37800(8) 0.50569(5) 0.0495(2) Uani 1 1 d . . . . .
Cl1 Cl -0.13643(9) 0.05773(8) 0.01709(6) 0.0501(3) Uani 1 1 d . . . . .
Cl Cl -0.05790(10) 0.19915(7) 0.13443(6) 0.0531(3) Uani 1 1 d . . . . .
F00B F 0.37259(17) 0.12346(13) 0.25221(10) 0.0311(4) Uani 1 1 d . . . . .
F00C F 0.14635(16) 0.24457(15) -0.02353(9) 0.0322(4) Uani 1 1 d . . . . .
F00D F 0.28769(18) 0.37570(14) 0.06006(9) 0.0336(5) Uani 1 1 d . . . . .
F00E F 0.45555(16) 0.25477(15) 0.05797(9) 0.0316(4) Uani 1 1 d . . . . .
F00F F 0.35096(17) 0.30338(16) -0.05102(9) 0.0335(5) Uani 1 1 d . . . . .
N00G N 0.59021(19) 0.50328(17) 0.30027(11) 0.0134(5) Uani 1 1 d . . . . .
F00H F 0.8909(2) 0.94361(15) 0.57039(10) 0.0412(5) Uani 1 1 d . . . . .
F00I F 0.8689(2) 0.79960(16) 0.63843(9) 0.0434(6) Uani 1 1 d . . . . .
F00J F 0.7371(2) 0.68889(15) 0.53887(10) 0.0456(6) Uani 1 1 d . . . . .
F00K F 0.25030(19) 0.19411(17) 0.08415(10) 0.0401(5) Uani 1 1 d . . . . .
O00L O 0.54407(19) 0.47794(16) 0.10045(10) 0.0246(5) Uani 1 1 d . . . . .
F00M F 0.7611(3) 0.83202(17) 0.47124(10) 0.0565(7) Uani 1 1 d . . . . .
N00N N 0.6213(2) 0.53886(18) 0.36255(11) 0.0158(5) Uani 1 1 d . . . . .
F00O F 0.3134(2) 0.12360(15) -0.02669(11) 0.0447(6) Uani 1 1 d . . . . .
F00P F 0.9456(3) 0.7650(2) 0.52850(15) 0.0662(9) Uani 1 1 d . . . . .
C00Q C 0.6658(2) 0.7286(2) 0.21157(14) 0.0142(6) Uani 1 1 d . . . . .
H00Q H 0.663385 0.736449 0.168084 0.017 Uiso 1 1 calc R U . . .
F00R F 0.6833(2) 0.86606(19) 0.58179(15) 0.0620(8) Uani 1 1 d . . . . .
C00S C 0.6674(2) 0.6847(2) 0.32382(13) 0.0133(6) Uani 1 1 d . . . . .
C00T C 0.2355(2) 0.3721(2) 0.22016(14) 0.0174(6) Uani 1 1 d . . . . .
H00T H 0.223603 0.312363 0.190055 0.021 Uiso 1 1 calc R U . . .
C00U C 0.9970(2) 0.7125(2) 0.25370(15) 0.0173(6) Uani 1 1 d . . . . .
H00U H 0.989814 0.690998 0.208777 0.021 Uiso 1 1 calc R U . . .
C00V C 0.9266(2) 0.6650(2) 0.28921(13) 0.0134(6) Uani 1 1 d . . . . .
C00W C 0.7036(2) 0.7859(2) 0.32493(13) 0.0138(6) Uani 1 1 d . . . . .
H00W H 0.725253 0.832776 0.363200 0.017 Uiso 1 1 calc R U . . .
C00X C 0.7038(2) 0.8086(2) 0.26390(14) 0.0134(6) Uani 1 1 d . . . . .
C00Y C 0.8740(2) 0.5262(2) 0.17181(13) 0.0139(6) Uani 1 1 d . . . . .
C00Z C 0.2683(2) 0.5472(2) 0.30759(14) 0.0182(6) Uani 1 1 d . . . . .
H00Z H 0.278042 0.607311 0.337251 0.022 Uiso 1 1 calc R U . . .
C010 C 0.8190(2) 0.5459(2) 0.11364(14) 0.0168(6) Uani 1 1 d . . . . .
H010 H 0.754536 0.583881 0.112485 0.020 Uiso 1 1 calc R U . . .
C011 C 0.8876(2) 0.9471(2) 0.22715(14) 0.0156(6) Uani 1 1 d . . . . .
C012 C 0.8460(2) 0.4569(2) 0.28689(14) 0.0157(6) Uani 1 1 d . . . . .
C013 C 0.4051(3) 0.6839(2) 0.11047(14) 0.0198(6) Uani 1 1 d . . . . .
H013 H 0.486744 0.682062 0.115490 0.024 Uiso 1 1 calc R U . . .
C014 C 0.6629(2) 0.6347(2) 0.37490(13) 0.0151(6) Uani 1 1 d . . . . .
H014 H 0.688617 0.667315 0.417690 0.018 Uiso 1 1 calc R U . . .
C015 C 0.3047(2) 0.4518(2) 0.20942(14) 0.0164(6) Uani 1 1 d . . . . .
H015 H 0.340178 0.446556 0.171983 0.020 Uiso 1 1 calc R U . . .
C016 C 0.8301(3) 1.0074(2) 0.38035(14) 0.0173(6) Uani 1 1 d . . . . .
H016 H 0.891799 0.967234 0.375535 0.021 Uiso 1 1 calc R U . . .
C017 C 0.7459(2) 1.0128(2) 0.32715(13) 0.0143(6) Uani 1 1 d . . . . .
C018 C 0.9013(3) 0.8916(2) 0.16851(14) 0.0199(6) Uani 1 1 d . . . . .
H018 H 0.840908 0.844008 0.145502 0.024 Uiso 1 1 calc R U . . .
C019 C 0.5723(2) 0.5217(2) 0.15057(14) 0.0159(6) Uani 1 1 d . . . . .
C01A C 1.0125(3) 0.4405(2) 0.11713(14) 0.0184(6) Uani 1 1 d . . . . .
H01A H 1.079954 0.406133 0.118357 0.022 Uiso 1 1 calc R U . . .
C01B C 1.0776(3) 0.7909(2) 0.28356(16) 0.0216(6) Uani 1 1 d . . . . .
H01B H 1.125330 0.822360 0.258839 0.026 Uiso 1 1 calc R U . . .
C01C C 0.3452(2) 0.6635(2) 0.15921(14) 0.0154(6) Uani 1 1 d . . . . .
C01D C 0.9730(2) 0.4758(2) 0.17349(14) 0.0174(6) Uani 1 1 d . . . . .
H01D H 1.013427 0.465672 0.213386 0.021 Uiso 1 1 calc R U . . .
C01E C 0.9760(3) 1.0174(2) 0.26060(15) 0.0195(6) Uani 1 1 d . . . . .
H01E H 0.966353 1.055673 0.300097 0.023 Uiso 1 1 calc R U . . .
C01F C 0.4043(2) 0.7486(2) 0.29319(14) 0.0148(6) Uani 1 1 d . . . . .
C01G C 1.0033(3) 0.9066(2) 0.14423(15) 0.0242(7) Uani 1 1 d . . . . .
H01G H 1.013034 0.869107 0.104487 0.029 Uiso 1 1 calc R U . . .
C01H C 0.4295(3) 0.2723(2) 0.32416(15) 0.0218(7) Uani 1 1 d . . . . .
H01H H 0.394069 0.246082 0.355956 0.026 Uiso 1 1 calc R U . . .
C01I C 1.0915(3) 0.9763(3) 0.17786(16) 0.0260(7) Uani 1 1 d . . . . .
H01I H 1.161306 0.986451 0.160995 0.031 Uiso 1 1 calc R U . . .
C01J C 0.3226(2) 0.5400(2) 0.25341(14) 0.0143(6) Uani 1 1 d . . . . .
C01K C 0.6472(2) 0.9668(2) 0.18931(13) 0.0147(6) Uani 1 1 d . . . . .
C01L C 1.0780(3) 1.0312(2) 0.23601(16) 0.0245(7) Uani 1 1 d . . . . .
H01L H 1.138855 1.078396 0.259024 0.029 Uiso 1 1 calc R U . . .
C01M C 0.9537(3) 0.4555(2) 0.05898(14) 0.0189(6) Uani 1 1 d . . . . .
H01M H 0.978537 0.428454 0.020173 0.023 Uiso 1 1 calc R U . . .
C01N C 0.2246(3) 0.6651(2) 0.15100(14) 0.0185(6) Uani 1 1 d . . . . .
H01N H 0.182742 0.649731 0.183585 0.022 Uiso 1 1 calc R U . . .
C01O C 0.4788(3) 0.2497(2) 0.21671(15) 0.0198(6) Uani 1 1 d . . . . .
H01O H 0.477160 0.208642 0.176483 0.024 Uiso 1 1 calc R U . . .
C01P C 0.7315(3) 1.1192(2) 0.44635(16) 0.0255(7) Uani 1 1 d . . . . .
H01P H 0.725785 1.155235 0.487229 0.031 Uiso 1 1 calc R U . . .
C01Q C 0.4022(3) 0.9188(2) 0.38357(16) 0.0243(7) Uani 1 1 d . . . . .
H01Q H 0.403233 0.977018 0.414048 0.029 Uiso 1 1 calc R U . . .
C01R C 0.8224(3) 1.0611(2) 0.43973(15) 0.0222(7) Uani 1 1 d . . . . .
H01R H 0.879028 1.058245 0.475790 0.027 Uiso 1 1 calc R U . . .
C01S C 0.4840(2) 0.3674(2) 0.33655(14) 0.0178(6) Uani 1 1 d . . . . .
H01S H 0.485596 0.407625 0.377060 0.021 Uiso 1 1 calc R U . . .
C01T C 0.5367(2) 0.4042(2) 0.28923(14) 0.0148(6) Uani 1 1 d . . . . .
C01U C 0.4362(3) 0.8331(2) 0.40341(15) 0.0229(7) Uani 1 1 d . . . . .
H01U H 0.458994 0.831945 0.447732 0.027 Uiso 1 1 calc R U . . .
C01V C 0.5325(3) 0.3453(2) 0.22942(14) 0.0179(6) Uani 1 1 d . . . . .
H01V H 0.566836 0.370962 0.197086 0.021 Uiso 1 1 calc R U . . .
C01W C 0.1834(3) 0.3791(2) 0.27473(15) 0.0202(6) Uani 1 1 d . . . . .
H01W H 0.136536 0.324215 0.282294 0.024 Uiso 1 1 calc R U . . .
C01X C 0.4372(2) 0.7484(2) 0.35859(14) 0.0177(6) Uani 1 1 d . . . . .
H01X H 0.460569 0.689783 0.372632 0.021 Uiso 1 1 calc R U . . .
C01Y C 0.9375(2) 0.6998(2) 0.35525(14) 0.0165(6) Uani 1 1 d . . . . .
H01Y H 0.888852 0.669581 0.380075 0.020 Uiso 1 1 calc R U . . .
C01Z C 0.3670(2) 0.8347(2) 0.27411(15) 0.0181(6) Uani 1 1 d . . . . .
H01Z H 0.341663 0.835676 0.229996 0.022 Uiso 1 1 calc R U . . .
C020 C 0.6831(3) 1.0379(2) 0.15470(14) 0.0193(6) Uani 1 1 d . . . . .
H020 H 0.760925 1.067233 0.163755 0.023 Uiso 1 1 calc R U . . .
C021 C 0.4280(3) 0.2163(2) 0.26467(16) 0.0219(7) Uani 1 1 d . . . . .
C022 C 1.0190(3) 0.7781(2) 0.38464(15) 0.0205(6) Uani 1 1 d . . . . .
H022 H 1.026482 0.800397 0.429500 0.025 Uiso 1 1 calc R U . . .
C023 C 0.5337(3) 0.9231(2) 0.17506(16) 0.0227(7) Uani 1 1 d . . . . .
H023 H 0.508861 0.874006 0.198108 0.027 Uiso 1 1 calc R U . . .
C024 C 0.8054(3) 0.3640(2) 0.25135(15) 0.0217(6) Uani 1 1 d . . . . .
H024 H 0.768383 0.358545 0.208232 0.026 Uiso 1 1 calc R U . . .
C025 C 0.6556(3) 1.0716(2) 0.33431(15) 0.0200(6) Uani 1 1 d . . . . .
H025 H 0.598650 1.075280 0.298540 0.024 Uiso 1 1 calc R U . . .
C026 C 0.3456(3) 0.7071(2) 0.05428(15) 0.0257(7) Uani 1 1 d . . . . .
H026 H 0.386574 0.720368 0.020853 0.031 Uiso 1 1 calc R U . . .
C027 C 0.6055(3) 1.0658(2) 0.10715(15) 0.0233(7) Uani 1 1 d . . . . .
H027 H 0.629884 1.114806 0.083940 0.028 Uiso 1 1 calc R U . . .
C028 C 0.2001(3) 0.4668(2) 0.31811(14) 0.0195(6) Uani 1 1 d . . . . .
H028 H 0.164382 0.471712 0.355461 0.023 Uiso 1 1 calc R U . . .
C029 C 0.2271(3) 0.7109(2) 0.04733(16) 0.0267(7) Uani 1 1 d . . . . .
H029 H 0.186844 0.728339 0.009500 0.032 Uiso 1 1 calc R U . . .
C02A C 0.4924(3) 1.0223(2) 0.09336(15) 0.0234(7) Uani 1 1 d . . . . .
H02A H 0.439342 1.041588 0.060653 0.028 Uiso 1 1 calc R U . . .
C02B C 0.1667(3) 0.6892(2) 0.09534(15) 0.0230(7) Uani 1 1 d . . . . .
H02B H 0.085005 0.690998 0.089968 0.028 Uiso 1 1 calc R U . . .
C02C C 0.8586(3) 0.5097(2) 0.05728(14) 0.0211(6) Uani 1 1 d . . . . .
H02C H 0.820504 0.522177 0.017441 0.025 Uiso 1 1 calc R U . . .
C02D C 0.3666(3) 0.9192(2) 0.31907(17) 0.0236(7) Uani 1 1 d . . . . .
H02D H 0.341697 0.977608 0.305407 0.028 Uiso 1 1 calc R U . . .
C02E C 0.9015(3) 0.4631(2) 0.34954(15) 0.0215(6) Uani 1 1 d . . . . .
H02E H 0.930010 0.525727 0.374386 0.026 Uiso 1 1 calc R U . . .
C02F C 0.8186(3) 0.2796(2) 0.27814(17) 0.0278(7) Uani 1 1 d . . . . .
H02F H 0.790101 0.216730 0.253534 0.033 Uiso 1 1 calc R U . . .
C02G C 0.4567(3) 0.9514(2) 0.12688(16) 0.0270(7) Uani 1 1 d . . . . .
H02G H 0.379023 0.921611 0.117112 0.032 Uiso 1 1 calc R U . . .
C02H C 0.6495(3) 1.1251(2) 0.39431(17) 0.0277(7) Uani 1 1 d . . . . .
H02H H 0.588472 1.165865 0.399433 0.033 Uiso 1 1 calc R U . . .
C02I C 0.9154(3) 0.3780(3) 0.37606(16) 0.0270(7) Uani 1 1 d . . . . .
H02I H 0.954345 0.382962 0.418764 0.032 Uiso 1 1 calc R U . . .
C02J C -0.0201(4) 0.1377(3) 0.0627(2) 0.0452(10) Uani 1 1 d . . . . .
H02N H 0.004454 0.187094 0.037093 0.054 Uiso 1 1 calc R U . . .
H02O H 0.046299 0.099376 0.073115 0.054 Uiso 1 1 calc R U . . .
C02K C 1.0893(3) 0.8239(2) 0.34887(16) 0.0228(7) Uani 1 1 d . . . . .
H02K H 1.144981 0.877362 0.368982 0.027 Uiso 1 1 calc R U . . .
C02L C 0.8733(3) 0.2867(2) 0.34097(17) 0.0272(7) Uani 1 1 d . . . . .
H02L H 0.881721 0.228895 0.359632 0.033 Uiso 1 1 calc R U . . .
C02M C 0.6934(4) 0.4412(3) 0.5000(2) 0.0500(11) Uani 1 1 d . . . . .
H02J H 0.696753 0.445798 0.454592 0.060 Uiso 1 1 calc R U . . .
H02M H 0.699650 0.509114 0.524380 0.060 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os01 P005 2.4381(7) . ?
Os01 P006 2.4374(7) . ?
Os01 N00G 2.091(2) . ?
Os01 C00Q 1.994(3) . ?
Os01 C00S 2.020(3) . ?
Os01 C019 1.963(3) . ?
Sb02 F00H 1.8712(19) . ?
Sb02 F00I 1.8619(19) . ?
Sb02 F00J 1.8698(19) . ?
Sb02 F00M 1.862(2) . ?
Sb02 F00P 1.865(2) . ?
Sb02 F00R 1.854(2) . ?
Sb03 F00C 1.8896(18) . ?
Sb03 F00D 1.8648(19) . ?
Sb03 F00E 1.8787(18) . ?
Sb03 F00F 1.8769(18) . ?
Sb03 F00K 1.8801(19) . ?
Sb03 F00O 1.864(2) . ?
P004 C00X 1.827(3) . ?
P004 C011 1.804(3) . ?
P004 C017 1.795(3) . ?
P004 C01K 1.795(3) . ?
P005 C00V 1.833(3) . ?
P005 C00Y 1.821(3) . ?
P005 C012 1.833(3) . ?
P006 C01C 1.823(3) . ?
P006 C01F 1.831(3) . ?
P006 C01J 1.829(3) . ?
Cl3 C02M 1.765(4) . ?
Cl2 C02M 1.772(5) . ?
Cl1 C02J 1.755(5) . ?
Cl C02J 1.765(4) . ?
F00B C021 1.360(3) . ?
N00G N00N 1.333(3) . ?
N00G C01T 1.429(4) . ?
O00L C019 1.135(4) . ?
N00N C014 1.345(4) . ?
C00Q H00Q 0.9500 . ?
C00Q C00X 1.437(4) . ?
C00S C00W 1.423(4) . ?
C00S C014 1.385(4) . ?
C00T H00T 0.9500 . ?
C00T C015 1.386(4) . ?
C00T C01W 1.388(4) . ?
C00U H00U 0.9500 . ?
C00U C00V 1.395(4) . ?
C00U C01B 1.388(4) . ?
C00V C01Y 1.403(4) . ?
C00W H00W 0.9500 . ?
C00W C00X 1.390(4) . ?
C00Y C010 1.391(4) . ?
C00Y C01D 1.394(4) . ?
C00Z H00Z 0.9500 . ?
C00Z C01J 1.396(4) . ?
C00Z C028 1.385(4) . ?
C010 H010 0.9500 . ?
C010 C02C 1.388(4) . ?
C011 C018 1.400(4) . ?
C011 C01E 1.394(4) . ?
C012 C024 1.395(4) . ?
C012 C02E 1.389(4) . ?
C013 H013 0.9500 . ?
C013 C01C 1.391(4) . ?
C013 C026 1.394(4) . ?
C014 H014 0.9500 . ?
C015 H015 0.9500 . ?
C015 C01J 1.397(4) . ?
C016 H016 0.9500 . ?
C016 C017 1.409(4) . ?
C016 C01R 1.386(4) . ?
C017 C025 1.391(4) . ?
C018 H018 0.9500 . ?
C018 C01G 1.386(4) . ?
C01A H01A 0.9500 . ?
C01A C01D 1.385(4) . ?
C01A C01M 1.385(4) . ?
C01B H01B 0.9500 . ?
C01B C02K 1.384(5) . ?
C01C C01N 1.401(4) . ?
C01D H01D 0.9500 . ?
C01E H01E 0.9500 . ?
C01E C01L 1.387(4) . ?
C01F C01X 1.397(4) . ?
C01F C01Z 1.393(4) . ?
C01G H01G 0.9500 . ?
C01G C01I 1.389(5) . ?
C01H H01H 0.9500 . ?
C01H C01S 1.384(4) . ?
C01H C021 1.378(5) . ?
C01I H01I 0.9500 . ?
C01I C01L 1.388(5) . ?
C01K C020 1.394(4) . ?
C01K C023 1.389(4) . ?
C01L H01L 0.9500 . ?
C01M H01M 0.9500 . ?
C01M C02C 1.385(4) . ?
C01N H01N 0.9500 . ?
C01N C02B 1.382(4) . ?
C01O H01O 0.9500 . ?
C01O C01V 1.385(4) . ?
C01O C021 1.380(5) . ?
C01P H01P 0.9500 . ?
C01P C01R 1.388(5) . ?
C01P C02H 1.378(5) . ?
C01Q H01Q 0.9500 . ?
C01Q C01U 1.382(5) . ?
C01Q C02D 1.384(5) . ?
C01R H01R 0.9500 . ?
C01S H01S 0.9500 . ?
C01S C01T 1.400(4) . ?
C01T C01V 1.397(4) . ?
C01U H01U 0.9500 . ?
C01U C01X 1.391(4) . ?
C01V H01V 0.9500 . ?
C01W H01W 0.9500 . ?
C01W C028 1.386(5) . ?
C01X H01X 0.9500 . ?
C01Y H01Y 0.9500 . ?
C01Y C022 1.391(4) . ?
C01Z H01Z 0.9500 . ?
C01Z C02D 1.390(4) . ?
C020 H020 0.9500 . ?
C020 C027 1.383(4) . ?
C022 H022 0.9500 . ?
C022 C02K 1.386(5) . ?
C023 H023 0.9500 . ?
C023 C02G 1.392(4) . ?
C024 H024 0.9500 . ?
C024 C02F 1.383(4) . ?
C025 H025 0.9500 . ?
C025 C02H 1.391(5) . ?
C026 H026 0.9500 . ?
C026 C029 1.381(5) . ?
C027 H027 0.9500 . ?
C027 C02A 1.384(5) . ?
C028 H028 0.9500 . ?
C029 H029 0.9500 . ?
C029 C02B 1.386(5) . ?
C02A H02A 0.9500 . ?
C02A C02G 1.375(5) . ?
C02B H02B 0.9500 . ?
C02C H02C 0.9500 . ?
C02D H02D 0.9500 . ?
C02E H02E 0.9500 . ?
C02E C02I 1.389(4) . ?
C02F H02F 0.9500 . ?
C02F C02L 1.388(5) . ?
C02G H02G 0.9500 . ?
C02H H02H 0.9500 . ?
C02I H02I 0.9500 . ?
C02I C02L 1.377(5) . ?
C02J H02N 0.9900 . ?
C02J H02O 0.9900 . ?
C02K H02K 0.9500 . ?
C02L H02L 0.9500 . ?
C02M H02J 0.9900 . ?
C02M H02M 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P006 Os01 P005 175.64(2) . . ?
N00G Os01 P005 88.91(6) . . ?
N00G Os01 P006 88.30(6) . . ?
C00Q Os01 P005 89.16(8) . . ?
C00Q Os01 P006 92.01(8) . . ?
C00Q Os01 N00G 155.80(10) . . ?
C00Q Os01 C00S 79.43(11) . . ?
C00S Os01 P005 84.95(8) . . ?
C00S Os01 P006 91.13(8) . . ?
C00S Os01 N00G 76.37(10) . . ?
C019 Os01 P005 95.12(8) . . ?
C019 Os01 P006 88.87(8) . . ?
C019 Os01 N00G 105.65(11) . . ?
C019 Os01 C00Q 98.55(12) . . ?
C019 Os01 C00S 177.97(12) . . ?
F00I Sb02 F00H 90.76(9) . . ?
F00I Sb02 F00J 89.74(9) . . ?
F00I Sb02 F00P 89.58(12) . . ?
F00J Sb02 F00H 179.50(9) . . ?
F00M Sb02 F00H 89.26(9) . . ?
F00M Sb02 F00I 179.26(13) . . ?
F00M Sb02 F00J 90.25(9) . . ?
F00M Sb02 F00P 89.68(14) . . ?
F00P Sb02 F00H 89.99(12) . . ?
F00P Sb02 F00J 89.96(13) . . ?
F00R Sb02 F00H 90.39(12) . . ?
F00R Sb02 F00I 90.05(12) . . ?
F00R Sb02 F00J 89.67(12) . . ?
F00R Sb02 F00M 90.70(14) . . ?
F00R Sb02 F00P 179.48(11) . . ?
F00D Sb03 F00C 88.75(9) . . ?
F00D Sb03 F00E 91.03(9) . . ?
F00D Sb03 F00F 90.59(9) . . ?
F00D Sb03 F00K 90.11(10) . . ?
F00E Sb03 F00C 179.57(9) . . ?
F00E Sb03 F00K 89.79(9) . . ?
F00F Sb03 F00C 89.44(9) . . ?
F00F Sb03 F00E 90.94(8) . . ?
F00F Sb03 F00K 178.98(10) . . ?
F00K Sb03 F00C 89.84(9) . . ?
F00O Sb03 F00C 90.45(10) . . ?
F00O Sb03 F00D 179.19(10) . . ?
F00O Sb03 F00E 89.78(10) . . ?
F00O Sb03 F00F 89.28(10) . . ?
F00O Sb03 F00K 90.01(10) . . ?
C011 P004 C00X 113.82(13) . . ?
C017 P004 C00X 106.32(13) . . ?
C017 P004 C011 111.06(13) . . ?
C01K P004 C00X 109.36(13) . . ?
C01K P004 C011 105.33(13) . . ?
C01K P004 C017 111.02(13) . . ?
C00V P005 Os01 115.27(9) . . ?
C00Y P005 Os01 115.81(9) . . ?
C00Y P005 C00V 103.40(13) . . ?
C00Y P005 C012 101.52(13) . . ?
C012 P005 Os01 112.63(9) . . ?
C012 P005 C00V 106.80(13) . . ?
C01C P006 Os01 115.56(10) . . ?
C01C P006 C01F 104.31(13) . . ?
C01C P006 C01J 103.18(13) . . ?
C01F P006 Os01 113.37(9) . . ?
C01J P006 Os01 113.70(9) . . ?
C01J P006 C01F 105.58(13) . . ?
N00N N00G Os01 116.72(18) . . ?
N00N N00G C01T 112.1(2) . . ?
C01T N00G Os01 131.09(18) . . ?
N00G N00N C014 113.7(2) . . ?
Os01 C00Q H00Q 122.4 . . ?
C00X C00Q Os01 115.3(2) . . ?
C00X C00Q H00Q 122.4 . . ?
C00W C00S Os01 116.7(2) . . ?
C014 C00S Os01 114.5(2) . . ?
C014 C00S C00W 128.7(3) . . ?
C015 C00T H00T 119.9 . . ?
C015 C00T C01W 120.2(3) . . ?
C01W C00T H00T 119.9 . . ?
C00V C00U H00U 119.8 . . ?
C01B C00U H00U 119.8 . . ?
C01B C00U C00V 120.4(3) . . ?
C00U C00V P005 118.3(2) . . ?
C00U C00V C01Y 118.5(3) . . ?
C01Y C00V P005 123.2(2) . . ?
C00S C00W H00W 123.7 . . ?
C00X C00W C00S 112.6(2) . . ?
C00X C00W H00W 123.7 . . ?
C00Q C00X P004 122.9(2) . . ?
C00W C00X P004 121.2(2) . . ?
C00W C00X C00Q 115.9(2) . . ?
C010 C00Y P005 122.2(2) . . ?
C010 C00Y C01D 119.6(3) . . ?
C01D C00Y P005 118.2(2) . . ?
C01J C00Z H00Z 120.0 . . ?
C028 C00Z H00Z 120.0 . . ?
C028 C00Z C01J 120.0(3) . . ?
C00Y C010 H010 120.1 . . ?
C02C C010 C00Y 119.8(3) . . ?
C02C C010 H010 120.1 . . ?
C018 C011 P004 117.6(2) . . ?
C01E C011 P004 122.0(2) . . ?
C01E C011 C018 120.1(3) . . ?
C024 C012 P005 116.7(2) . . ?
C02E C012 P005 124.6(2) . . ?
C02E C012 C024 118.7(3) . . ?
C01C C013 H013 119.9 . . ?
C01C C013 C026 120.2(3) . . ?
C026 C013 H013 119.9 . . ?
N00N C014 C00S 118.5(2) . . ?
N00N C014 H014 120.7 . . ?
C00S C014 H014 120.7 . . ?
C00T C015 H015 119.9 . . ?
C00T C015 C01J 120.3(3) . . ?
C01J C015 H015 119.9 . . ?
C017 C016 H016 120.2 . . ?
C01R C016 H016 120.2 . . ?
C01R C016 C017 119.6(3) . . ?
C016 C017 P004 119.4(2) . . ?
C025 C017 P004 120.2(2) . . ?
C025 C017 C016 120.1(3) . . ?
C011 C018 H018 120.2 . . ?
C01G C018 C011 119.6(3) . . ?
C01G C018 H018 120.2 . . ?
O00L C019 Os01 178.5(3) . . ?
C01D C01A H01A 120.0 . . ?
C01M C01A H01A 120.0 . . ?
C01M C01A C01D 119.9(3) . . ?
C00U C01B H01B 119.6 . . ?
C02K C01B C00U 120.9(3) . . ?
C02K C01B H01B 119.6 . . ?
C013 C01C P006 122.3(2) . . ?
C013 C01C C01N 119.4(3) . . ?
C01N C01C P006 118.2(2) . . ?
C00Y C01D H01D 119.9 . . ?
C01A C01D C00Y 120.2(3) . . ?
C01A C01D H01D 119.9 . . ?
C011 C01E H01E 120.1 . . ?
C01L C01E C011 119.7(3) . . ?
C01L C01E H01E 120.1 . . ?
C01X C01F P006 119.3(2) . . ?
C01Z C01F P006 122.2(2) . . ?
C01Z C01F C01X 118.4(3) . . ?
C018 C01G H01G 119.9 . . ?
C018 C01G C01I 120.2(3) . . ?
C01I C01G H01G 119.9 . . ?
C01S C01H H01H 120.8 . . ?
C021 C01H H01H 120.8 . . ?
C021 C01H C01S 118.5(3) . . ?
C01G C01I H01I 119.9 . . ?
C01L C01I C01G 120.2(3) . . ?
C01L C01I H01I 119.9 . . ?
C00Z C01J P006 124.3(2) . . ?
C00Z C01J C015 119.2(3) . . ?
C015 C01J P006 116.5(2) . . ?
C020 C01K P004 119.6(2) . . ?
C023 C01K P004 120.8(2) . . ?
C023 C01K C020 119.6(3) . . ?
C01E C01L C01I 120.2(3) . . ?
C01E C01L H01L 119.9 . . ?
C01I C01L H01L 119.9 . . ?
C01A C01M H01M 119.9 . . ?
C01A C01M C02C 120.1(3) . . ?
C02C C01M H01M 119.9 . . ?
C01C C01N H01N 120.1 . . ?
C02B C01N C01C 119.8(3) . . ?
C02B C01N H01N 120.1 . . ?
C01V C01O H01O 121.2 . . ?
C021 C01O H01O 121.2 . . ?
C021 C01O C01V 117.5(3) . . ?
C01R C01P H01P 119.6 . . ?
C02H C01P H01P 119.6 . . ?
C02H C01P C01R 120.7(3) . . ?
C01U C01Q H01Q 120.2 . . ?
C01U C01Q C02D 119.6(3) . . ?
C02D C01Q H01Q 120.2 . . ?
C016 C01R C01P 119.8(3) . . ?
C016 C01R H01R 120.1 . . ?
C01P C01R H01R 120.1 . . ?
C01H C01S H01S 120.1 . . ?
C01H C01S C01T 119.8(3) . . ?
C01T C01S H01S 120.1 . . ?
C01S C01T N00G 120.8(3) . . ?
C01V C01T N00G 119.4(3) . . ?
C01V C01T C01S 119.8(3) . . ?
C01Q C01U H01U 119.9 . . ?
C01Q C01U C01X 120.1(3) . . ?
C01X C01U H01U 119.9 . . ?
C01O C01V C01T 120.8(3) . . ?
C01O C01V H01V 119.6 . . ?
C01T C01V H01V 119.6 . . ?
C00T C01W H01W 120.2 . . ?
C028 C01W C00T 119.6(3) . . ?
C028 C01W H01W 120.2 . . ?
C01F C01X H01X 119.6 . . ?
C01U C01X C01F 120.8(3) . . ?
C01U C01X H01X 119.6 . . ?
C00V C01Y H01Y 119.7 . . ?
C022 C01Y C00V 120.5(3) . . ?
C022 C01Y H01Y 119.7 . . ?
C01F C01Z H01Z 119.7 . . ?
C02D C01Z C01F 120.6(3) . . ?
C02D C01Z H01Z 119.7 . . ?
C01K C020 H020 120.0 . . ?
C027 C020 C01K 120.0(3) . . ?
C027 C020 H020 120.0 . . ?
F00B C021 C01H 118.4(3) . . ?
F00B C021 C01O 118.1(3) . . ?
C01H C021 C01O 123.6(3) . . ?
C01Y C022 H022 119.8 . . ?
C02K C022 C01Y 120.4(3) . . ?
C02K C022 H022 119.8 . . ?
C01K C023 H023 120.1 . . ?
C01K C023 C02G 119.8(3) . . ?
C02G C023 H023 120.1 . . ?
C012 C024 H024 119.6 . . ?
C02F C024 C012 120.8(3) . . ?
C02F C024 H024 119.6 . . ?
C017 C025 H025 120.3 . . ?
C02H C025 C017 119.4(3) . . ?
C02H C025 H025 120.3 . . ?
C013 C026 H026 120.1 . . ?
C029 C026 C013 119.8(3) . . ?
C029 C026 H026 120.1 . . ?
C020 C027 H027 120.0 . . ?
C020 C027 C02A 120.1(3) . . ?
C02A C027 H027 120.0 . . ?
C00Z C028 C01W 120.7(3) . . ?
C00Z C028 H028 119.7 . . ?
C01W C028 H028 119.7 . . ?
C026 C029 H029 119.9 . . ?
C026 C029 C02B 120.2(3) . . ?
C02B C029 H029 119.9 . . ?
C027 C02A H02A 119.9 . . ?
C02G C02A C027 120.2(3) . . ?
C02G C02A H02A 119.9 . . ?
C01N C02B C029 120.4(3) . . ?
C01N C02B H02B 119.8 . . ?
C029 C02B H02B 119.8 . . ?
C010 C02C H02C 119.9 . . ?
C01M C02C C010 120.2(3) . . ?
C01M C02C H02C 119.9 . . ?
C01Q C02D C01Z 120.5(3) . . ?
C01Q C02D H02D 119.8 . . ?
C01Z C02D H02D 119.8 . . ?
C012 C02E H02E 119.8 . . ?
C012 C02E C02I 120.4(3) . . ?
C02I C02E H02E 119.8 . . ?
C024 C02F H02F 120.0 . . ?
C024 C02F C02L 120.1(3) . . ?
C02L C02F H02F 120.0 . . ?
C023 C02G H02G 119.9 . . ?
C02A C02G C023 120.3(3) . . ?
C02A C02G H02G 119.9 . . ?
C01P C02H C025 120.4(3) . . ?
C01P C02H H02H 119.8 . . ?
C025 C02H H02H 119.8 . . ?
C02E C02I H02I 119.7 . . ?
C02L C02I C02E 120.6(3) . . ?
C02L C02I H02I 119.7 . . ?
Cl1 C02J Cl 111.6(2) . . ?
Cl1 C02J H02N 109.3 . . ?
Cl1 C02J H02O 109.3 . . ?
Cl C02J H02N 109.3 . . ?
Cl C02J H02O 109.3 . . ?
H02N C02J H02O 108.0 . . ?
C01B C02K C022 119.3(3) . . ?
C01B C02K H02K 120.3 . . ?
C022 C02K H02K 120.3 . . ?
C02F C02L H02L 120.2 . . ?
C02I C02L C02F 119.6(3) . . ?
C02I C02L H02L 120.2 . . ?
Cl3 C02M Cl2 111.3(2) . . ?
Cl3 C02M H02J 109.4 . . ?
Cl3 C02M H02M 109.4 . . ?
Cl2 C02M H02J 109.4 . . ?
Cl2 C02M H02M 109.4 . . ?
H02J C02M H02M 108.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Os01 P005 C00V C00U -108.0(2) . . . . ?
Os01 P005 C00V C01Y 69.6(2) . . . . ?
Os01 P005 C00Y C010 19.0(3) . . . . ?
Os01 P005 C00Y C01D -160.46(19) . . . . ?
Os01 P005 C012 C024 74.2(2) . . . . ?
Os01 P005 C012 C02E -105.2(2) . . . . ?
Os01 P006 C01C C013 -16.1(3) . . . . ?
Os01 P006 C01C C01N 166.38(19) . . . . ?
Os01 P006 C01F C01X -62.5(2) . . . . ?
Os01 P006 C01F C01Z 114.0(2) . . . . ?
Os01 P006 C01J C00Z 114.8(2) . . . . ?
Os01 P006 C01J C015 -64.6(2) . . . . ?
Os01 N00G N00N C014 2.4(3) . . . . ?
Os01 N00G C01T C01S -153.2(2) . . . . ?
Os01 N00G C01T C01V 23.9(4) . . . . ?
Os01 C00Q C00X P004 -178.47(14) . . . . ?
Os01 C00Q C00X C00W 0.5(3) . . . . ?
Os01 C00S C00W C00X -2.7(3) . . . . ?
Os01 C00S C014 N00N -3.8(3) . . . . ?
P004 C011 C018 C01G 173.7(2) . . . . ?
P004 C011 C01E C01L -173.8(2) . . . . ?
P004 C017 C025 C02H 173.7(2) . . . . ?
P004 C01K C020 C027 -178.4(2) . . . . ?
P004 C01K C023 C02G 178.7(2) . . . . ?
P005 C00V C01Y C022 -179.2(2) . . . . ?
P005 C00Y C010 C02C -175.3(2) . . . . ?
P005 C00Y C01D C01A 175.7(2) . . . . ?
P005 C012 C024 C02F -178.5(2) . . . . ?
P005 C012 C02E C02I 179.1(2) . . . . ?
P006 C01C C01N C02B 176.1(2) . . . . ?
P006 C01F C01X C01U 174.7(2) . . . . ?
P006 C01F C01Z C02D -174.4(2) . . . . ?
N00G N00N C014 C00S 0.8(4) . . . . ?
N00G C01T C01V C01O -178.5(3) . . . . ?
N00N N00G C01T C01S 23.3(3) . . . . ?
N00N N00G C01T C01V -159.6(2) . . . . ?
C00S C00W C00X P004 -179.63(19) . . . . ?
C00S C00W C00X C00Q 1.4(3) . . . . ?
C00T C015 C01J P006 178.3(2) . . . . ?
C00T C015 C01J C00Z -1.2(4) . . . . ?
C00T C01W C028 C00Z -0.1(4) . . . . ?
C00U C00V C01Y C022 -1.7(4) . . . . ?
C00U C01B C02K C022 -0.4(5) . . . . ?
C00V P005 C00Y C010 -108.1(2) . . . . ?
C00V P005 C00Y C01D 72.5(2) . . . . ?
C00V P005 C012 C024 -158.3(2) . . . . ?
C00V P005 C012 C02E 22.3(3) . . . . ?
C00V C00U C01B C02K -0.3(4) . . . . ?
C00V C01Y C022 C02K 1.0(4) . . . . ?
C00W C00S C014 N00N 177.5(3) . . . . ?
C00X P004 C011 C018 61.7(3) . . . . ?
C00X P004 C011 C01E -125.2(2) . . . . ?
C00X P004 C017 C016 69.9(3) . . . . ?
C00X P004 C017 C025 -103.7(2) . . . . ?
C00X P004 C01K C020 -154.8(2) . . . . ?
C00X P004 C01K C023 25.8(3) . . . . ?
C00Y P005 C00V C00U 19.4(2) . . . . ?
C00Y P005 C00V C01Y -163.0(2) . . . . ?
C00Y P005 C012 C024 -50.3(3) . . . . ?
C00Y P005 C012 C02E 130.3(3) . . . . ?
C00Y C010 C02C C01M -0.9(5) . . . . ?
C010 C00Y C01D C01A -3.7(4) . . . . ?
C011 P004 C00X C00Q -74.0(3) . . . . ?
C011 P004 C00X C00W 107.1(2) . . . . ?
C011 P004 C017 C016 -54.4(3) . . . . ?
C011 P004 C017 C025 132.0(2) . . . . ?
C011 P004 C01K C020 -32.1(3) . . . . ?
C011 P004 C01K C023 148.5(2) . . . . ?
C011 C018 C01G C01I -0.1(5) . . . . ?
C011 C01E C01L C01I 0.9(5) . . . . ?
C012 P005 C00V C00U 126.1(2) . . . . ?
C012 P005 C00V C01Y -56.4(3) . . . . ?
C012 P005 C00Y C010 141.3(2) . . . . ?
C012 P005 C00Y C01D -38.1(3) . . . . ?
C012 C024 C02F C02L -0.4(5) . . . . ?
C012 C02E C02I C02L -0.8(5) . . . . ?
C013 C01C C01N C02B -1.5(4) . . . . ?
C013 C026 C029 C02B -1.6(5) . . . . ?
C014 C00S C00W C00X 176.0(3) . . . . ?
C015 C00T C01W C028 0.6(4) . . . . ?
C016 C017 C025 C02H 0.2(4) . . . . ?
C017 P004 C00X C00Q 163.4(2) . . . . ?
C017 P004 C00X C00W -15.5(3) . . . . ?
C017 P004 C011 C018 -178.4(2) . . . . ?
C017 P004 C011 C01E -5.3(3) . . . . ?
C017 P004 C01K C020 88.2(3) . . . . ?
C017 P004 C01K C023 -91.2(3) . . . . ?
C017 C016 C01R C01P 0.4(4) . . . . ?
C017 C025 C02H C01P -0.6(5) . . . . ?
C018 C011 C01E C01L -0.9(4) . . . . ?
C018 C01G C01I C01L 0.1(5) . . . . ?
C01A C01M C02C C010 -2.7(5) . . . . ?
C01B C00U C00V P005 179.0(2) . . . . ?
C01B C00U C00V C01Y 1.3(4) . . . . ?
C01C P006 C01F C01X 171.0(2) . . . . ?
C01C P006 C01F C01Z -12.5(3) . . . . ?
C01C P006 C01J C00Z -119.2(3) . . . . ?
C01C P006 C01J C015 61.3(2) . . . . ?
C01C C013 C026 C029 0.7(5) . . . . ?
C01C C01N C02B C029 0.6(5) . . . . ?
C01D C00Y C010 C02C 4.1(4) . . . . ?
C01D C01A C01M C02C 3.1(5) . . . . ?
C01E C011 C018 C01G 0.5(4) . . . . ?
C01F P006 C01C C013 109.1(3) . . . . ?
C01F P006 C01C C01N -68.5(2) . . . . ?
C01F P006 C01J C00Z -10.0(3) . . . . ?
C01F P006 C01J C015 170.5(2) . . . . ?
C01F C01Z C02D C01Q -0.6(4) . . . . ?
C01G C01I C01L C01E -0.6(5) . . . . ?
C01H C01S C01T N00G 178.0(3) . . . . ?
C01H C01S C01T C01V 1.0(4) . . . . ?
C01J P006 C01C C013 -140.8(2) . . . . ?
C01J P006 C01C C01N 41.7(3) . . . . ?
C01J P006 C01F C01X 62.6(2) . . . . ?
C01J P006 C01F C01Z -120.9(2) . . . . ?
C01J C00Z C028 C01W -1.1(4) . . . . ?
C01K P004 C00X C00Q 43.5(3) . . . . ?
C01K P004 C00X C00W -135.4(2) . . . . ?
C01K P004 C011 C018 -58.1(3) . . . . ?
C01K P004 C011 C01E 115.0(3) . . . . ?
C01K P004 C017 C016 -171.3(2) . . . . ?
C01K P004 C017 C025 15.1(3) . . . . ?
C01K C020 C027 C02A -0.7(5) . . . . ?
C01K C023 C02G C02A 0.1(5) . . . . ?
C01M C01A C01D C00Y 0.1(4) . . . . ?
C01Q C01U C01X C01F 0.1(4) . . . . ?
C01R C016 C017 P004 -173.7(2) . . . . ?
C01R C016 C017 C025 -0.1(4) . . . . ?
C01R C01P C02H C025 0.9(5) . . . . ?
C01S C01H C021 F00B -178.8(3) . . . . ?
C01S C01H C021 C01O 0.7(5) . . . . ?
C01S C01T C01V C01O -1.4(4) . . . . ?
C01T N00G N00N C014 -174.6(2) . . . . ?
C01U C01Q C02D C01Z -1.3(5) . . . . ?
C01V C01O C021 F00B 178.4(3) . . . . ?
C01V C01O C021 C01H -1.1(5) . . . . ?
C01W C00T C015 C01J 0.0(4) . . . . ?
C01X C01F C01Z C02D 2.2(4) . . . . ?
C01Y C022 C02K C01B 0.0(5) . . . . ?
C01Z C01F C01X C01U -1.9(4) . . . . ?
C020 C01K C023 C02G -0.7(5) . . . . ?
C020 C027 C02A C02G 0.1(5) . . . . ?
C021 C01H C01S C01T -0.6(4) . . . . ?
C021 C01O C01V C01T 1.4(4) . . . . ?
C023 C01K C020 C027 1.1(4) . . . . ?
C024 C012 C02E C02I -0.3(5) . . . . ?
C024 C02F C02L C02I -0.7(5) . . . . ?
C026 C013 C01C P006 -176.7(2) . . . . ?
C026 C013 C01C C01N 0.8(4) . . . . ?
C026 C029 C02B C01N 0.9(5) . . . . ?
C027 C02A C02G C023 0.3(5) . . . . ?
C028 C00Z C01J P006 -177.7(2) . . . . ?
C028 C00Z C01J C015 1.7(4) . . . . ?
C02D C01Q C01U C01X 1.5(5) . . . . ?
C02E C012 C024 C02F 1.0(5) . . . . ?
C02E C02I C02L C02F 1.3(5) . . . . ?
C02H C01P C01R C016 -0.8(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_czw_mr_111_3_20220528_0m
_database_code_depnum_ccdc_archive 'CCDC 2233811'
loop_
_audit_author_name
_audit_author_address
'Zhenwei Chu'
;Department of chemistry, Southern University of Science and Technology
China
;
_audit_update_record             
;
2023-01-02 deposited with the CCDC.	2023-03-14 downloaded from the CCDC.
;
_audit_creation_date             2022-05-31
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C69 H60 Cl F N2 O3 Os P3, 3(C H2 Cl2), Cl'
_chemical_formula_sum            'C72 H65 Cl8 F N2 O3 Os P3'
_chemical_formula_weight         1591.97
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.0268(7)
_cell_length_b                   20.4321(11)
_cell_length_c                   26.2852(12)
_cell_angle_alpha                90
_cell_angle_beta                 97.885(3)
_cell_angle_gamma                90
_cell_volume                     6930.0(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9915
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.90
_cell_measurement_theta_min      4.03
_shelx_estimated_absorpt_T_max   0.757
_shelx_estimated_absorpt_T_min   0.590
_exptl_absorpt_coefficient_mu    7.378
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.5415
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1080 before and 0.0720 after correction.
The Ratio of minimum to maximum transmission is 0.7193.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3204
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0814
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            55649
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        66.893
_diffrn_reflns_theta_max         66.893
_diffrn_reflns_theta_min         2.749
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker PHOTON II area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CMOS area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.11
_diffrn_source_power             0.05550000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9924
_reflns_number_total             12247
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT 2014'
_refine_diff_density_max         2.619
_refine_diff_density_min         -1.408
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     813
_refine_ls_number_reflns         12247
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0429
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0575P)²+16.8250P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1080
_refine_ls_wR_factor_ref         0.1161
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C00J(H00J)
2.b Secondary CH2 refined with riding coordinates:
 C01V(H01D,H01J), C02B(H02I,H02J), C02D(H02B,H02D), C02G(H02G,H02H), C02I(H02K,
 H02L)
2.c Aromatic/amide H refined with riding coordinates:
 C00N(H00N), C00O(H00O), C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T),
 C00U(H00U), C00W(H00W), C010(H010), C011(H011), C012(H012), C014(H014),
 C015(H015), C016(H016), C018(H018), C019(H019), C01A(H01A), C01B(H01B),
 C01C(H01C), C01E(H01E), C01F(H01F), C01G(H01G), C01H(H01H), C01I(H01I),
 C01K(H01K), C01L(H01L), C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P),
 C01Q(H01Q), C01T(H01T), C01U(H01U), C01W(H01W), C01X(H01X), C01Y(H01Y),
 C01Z(H01Z), C020(H020), C021(H021), C022(H022), C023(H023), C024(H024),
 C025(H025), C026(H026), C027(H027), C028(H028), C029(H029), C02A(H02A),
 C02C(H02C), C02E(H02E), C02F(H02F)
2.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C)
2.e Idealised tetrahedral OH refined as rotating group:
 O00D(H00D)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os01 Os 0.28789(2) 0.27022(2) 0.39315(2) 0.01899(8) Uani 1 1 d . . . . .
Cl6 Cl 0.18728(9) 0.28242(6) 0.46764(4) 0.0239(2) Uani 1 1 d . . . . .
P003 P 0.19508(10) 0.39182(6) 0.24361(4) 0.0223(2) Uani 1 1 d . . . . .
P005 P 0.38426(9) 0.36286(6) 0.43473(4) 0.0205(2) Uani 1 1 d . . . . .
P006 P 0.16065(9) 0.19196(6) 0.35917(4) 0.0214(2) Uani 1 1 d . . . . .
Cl4 Cl -0.02549(11) 0.40652(8) 0.48375(6) 0.0456(3) Uani 1 1 d . . . . .
Cl Cl 0.50477(13) 0.39589(9) 0.12806(5) 0.0493(4) Uani 1 1 d . . . . .
Cl1 Cl 0.64783(12) 0.46754(8) 0.20289(6) 0.0494(4) Uani 1 1 d . . . . .
Cl5 Cl 0.07994(16) 0.40361(13) 0.58952(6) 0.0785(7) Uani 1 1 d . . . . .
Cl3 Cl 0.88086(17) 0.19902(12) 0.17514(7) 0.0730(6) Uani 1 1 d . . . . .
Cl2 Cl 0.77348(17) 0.32160(11) 0.15201(10) 0.0790(6) Uani 1 1 d . . . . .
O00D O 0.4147(3) 0.33282(17) 0.26447(12) 0.0240(7) Uani 1 1 d . . . . .
H00D H 0.457968 0.307614 0.253808 0.036 Uiso 1 1 calc R U . . .
O00E O 0.6012(3) 0.1854(2) 0.46745(13) 0.0337(8) Uani 1 1 d . . . . .
F00F F 0.3420(3) -0.01613(17) 0.53785(14) 0.0503(9) Uani 1 1 d . . . . .
O00G O 0.6441(3) 0.1616(2) 0.38912(14) 0.0343(8) Uani 1 1 d . . . . .
N00H N 0.4015(3) 0.2044(2) 0.42499(14) 0.0218(8) Uani 1 1 d . . . . .
N00I N 0.4828(3) 0.2033(2) 0.39702(15) 0.0251(9) Uani 1 1 d . . . . .
C00J C 0.3378(4) 0.2948(2) 0.28574(16) 0.0200(9) Uani 1 1 d . . . . .
H00J H 0.313569 0.258521 0.261468 0.024 Uiso 1 1 calc R U . . .
C00K C 0.0242(4) 0.2167(3) 0.35028(18) 0.0255(10) Uani 1 1 d . . . . .
C00L C 0.1471(4) 0.1123(3) 0.39057(19) 0.0282(11) Uani 1 1 d . . . . .
C00M C 0.5141(4) 0.3830(3) 0.41903(18) 0.0249(10) Uani 1 1 d . . . . .
C00N C 0.1255(4) 0.1936(2) 0.25146(17) 0.0240(10) Uani 1 1 d . . . . .
H00N H 0.064903 0.218244 0.254811 0.029 Uiso 1 1 calc R U . . .
C00O C 0.2098(4) 0.4437(3) 0.42086(17) 0.0250(10) Uani 1 1 d . . . . .
H00O H 0.172726 0.404248 0.424300 0.030 Uiso 1 1 calc R U . . .
C00P C 0.3176(4) 0.4419(2) 0.42390(16) 0.0222(10) Uani 1 1 d . . . . .
C00Q C 0.2417(4) 0.1465(3) 0.19766(19) 0.0292(11) Uani 1 1 d . . . . .
H00Q H 0.260821 0.138851 0.164566 0.035 Uiso 1 1 calc R U . . .
C00R C 0.1531(4) 0.1817(3) 0.20249(18) 0.0268(11) Uani 1 1 d . . . . .
H00R H 0.110924 0.197902 0.172780 0.032 Uiso 1 1 calc R U . . .
C00S C -0.0097(4) 0.2745(3) 0.37032(19) 0.0288(11) Uani 1 1 d . . . . .
H00S H 0.039060 0.303606 0.388440 0.035 Uiso 1 1 calc R U . . .
C00T C 0.4813(4) 0.2954(3) 0.58053(19) 0.0296(11) Uani 1 1 d . . . . .
H00T H 0.517815 0.258408 0.595477 0.035 Uiso 1 1 calc R U . . .
C00U C -0.0074(4) 0.3878(3) 0.2663(2) 0.0323(12) Uani 1 1 d . . . . .
H00U H -0.002129 0.341624 0.263145 0.039 Uiso 1 1 calc R U . . .
C00V C 0.0768(4) 0.4276(3) 0.25957(17) 0.0262(11) Uani 1 1 d . . . . .
C00W C 0.2747(4) 0.1335(3) 0.28918(19) 0.0267(10) Uani 1 1 d . . . . .
H00W H 0.316359 0.116435 0.318704 0.032 Uiso 1 1 calc R U . . .
C00X C 0.2467(4) 0.3374(2) 0.29346(17) 0.0223(10) Uani 1 1 d . . . . .
C00Y C 0.5841(4) 0.1799(3) 0.41665(19) 0.0269(11) Uani 1 1 d . . . . .
C00Z C 0.4081(4) 0.3569(3) 0.50512(17) 0.0233(10) Uani 1 1 d . . . . .
C010 C 0.5273(4) 0.3923(3) 0.36765(19) 0.0278(11) Uani 1 1 d . . . . .
H010 H 0.471473 0.383850 0.341249 0.033 Uiso 1 1 calc R U . . .
C011 C 0.3026(4) 0.1223(3) 0.24067(19) 0.0285(11) Uani 1 1 d . . . . .
H011 H 0.363467 0.098110 0.237161 0.034 Uiso 1 1 calc R U . . .
C012 C 0.2477(4) 0.3203(3) 0.16085(18) 0.0269(11) Uani 1 1 d . . . . .
H012 H 0.315729 0.319565 0.179230 0.032 Uiso 1 1 calc R U . . .
C013 C 0.3756(4) 0.2659(2) 0.33857(17) 0.0207(9) Uani 1 1 d . . . . .
C014 C 0.1508(4) 0.0527(3) 0.3661(2) 0.0329(12) Uani 1 1 d . . . . .
H014 H 0.167753 0.051141 0.332090 0.039 Uiso 1 1 calc R U . . .
C015 C 0.4129(4) 0.0854(3) 0.43565(19) 0.0281(11) Uani 1 1 d . . . . .
H015 H 0.439383 0.081334 0.403883 0.034 Uiso 1 1 calc R U . . .
C016 C 0.4701(4) 0.2362(2) 0.35102(17) 0.0218(10) Uani 1 1 d . . . . .
H016 H 0.522809 0.238140 0.329425 0.026 Uiso 1 1 calc R U . . .
C017 C 0.1857(4) 0.1697(2) 0.29474(17) 0.0230(10) Uani 1 1 d . . . . .
C018 C 0.3351(4) 0.0978(3) 0.5282(2) 0.0329(12) Uani 1 1 d . . . . .
H018 H 0.308189 0.101432 0.559836 0.040 Uiso 1 1 calc R U . . .
C019 C 0.3176(4) 0.5586(3) 0.41085(19) 0.0303(11) Uani 1 1 d . . . . .
H019 H 0.354475 0.598122 0.407355 0.036 Uiso 1 1 calc R U . . .
C01A C 0.3710(4) 0.5004(3) 0.41888(18) 0.0275(11) Uani 1 1 d . . . . .
H01A H 0.444387 0.500042 0.420998 0.033 Uiso 1 1 calc R U . . .
C01B C 0.4465(4) 0.3437(3) 0.61157(18) 0.0290(11) Uani 1 1 d . . . . .
H01B H 0.457895 0.338938 0.647858 0.035 Uiso 1 1 calc R U . . .
C01C C -0.1057(5) 0.4827(3) 0.2834(2) 0.0395(14) Uani 1 1 d . . . . .
H01C H -0.167967 0.501620 0.291575 0.047 Uiso 1 1 calc R U . . .
C01D C 0.2807(4) 0.4586(3) 0.23545(18) 0.0253(10) Uani 1 1 d . . . . .
C01E C 0.3509(4) 0.1530(3) 0.49998(18) 0.0281(11) Uani 1 1 d . . . . .
H01E H 0.334295 0.194988 0.512140 0.034 Uiso 1 1 calc R U . . .
C01F C 0.1563(4) 0.5022(3) 0.41288(18) 0.0288(11) Uani 1 1 d . . . . .
H01F H 0.082952 0.503065 0.410839 0.035 Uiso 1 1 calc R U . . .
C01G C 0.1217(4) 0.1137(3) 0.44079(19) 0.0323(12) Uani 1 1 d . . . . .
H01G H 0.118818 0.154189 0.458262 0.039 Uiso 1 1 calc R U . . .
C01H C 0.4617(4) 0.3022(3) 0.52713(18) 0.0272(11) Uani 1 1 d . . . . .
H01H H 0.484881 0.269507 0.505673 0.033 Uiso 1 1 calc R U . . .
C01I C -0.0502(4) 0.1737(3) 0.3248(2) 0.0333(12) Uani 1 1 d . . . . .
H01I H -0.028924 0.132991 0.312289 0.040 Uiso 1 1 calc R U . . .
C01J C 0.3590(4) 0.0377(3) 0.5097(2) 0.0360(13) Uani 1 1 d . . . . .
C01K C 0.3758(4) 0.4041(3) 0.53690(17) 0.0241(10) Uani 1 1 d . . . . .
H01K H 0.339268 0.441341 0.522215 0.029 Uiso 1 1 calc R U . . .
C01L C 0.2095(4) 0.3323(2) 0.33889(17) 0.0220(10) Uani 1 1 d . . . . .
H01L H 0.150209 0.356141 0.345595 0.026 Uiso 1 1 calc R U . . .
C01M C -0.0995(4) 0.4158(3) 0.2777(2) 0.0392(13) Uani 1 1 d . . . . .
H01M H -0.157497 0.388923 0.281495 0.047 Uiso 1 1 calc R U . . .
C01N C 0.2115(5) 0.5599(3) 0.40787(19) 0.0334(12) Uani 1 1 d . . . . .
H01N H 0.175481 0.600254 0.402374 0.040 Uiso 1 1 calc R U . . .
C01O C 0.5976(4) 0.3961(3) 0.4565(2) 0.0307(11) Uani 1 1 d . . . . .
H01O H 0.589993 0.389992 0.491661 0.037 Uiso 1 1 calc R U . . .
C01P C 0.2272(4) 0.2906(3) 0.11326(18) 0.0309(12) Uani 1 1 d . . . . .
H01P H 0.281641 0.269373 0.099065 0.037 Uiso 1 1 calc R U . . .
C01Q C 0.3329(4) 0.4901(3) 0.2785(2) 0.0327(12) Uani 1 1 d . . . . .
H01Q H 0.328088 0.473562 0.311911 0.039 Uiso 1 1 calc R U . . .
C01R C 0.3911(4) 0.1473(3) 0.45375(17) 0.0255(10) Uani 1 1 d . . . . .
C01S C 0.1669(4) 0.3516(3) 0.18184(17) 0.0268(11) Uani 1 1 d . . . . .
C01T C 0.3996(5) 0.5690(3) 0.2241(2) 0.0398(13) Uani 1 1 d . . . . .
H01T H 0.439469 0.607208 0.220336 0.048 Uiso 1 1 calc R U . . .
C01U C -0.1142(5) 0.2898(3) 0.3641(2) 0.0404(14) Uani 1 1 d . . . . .
H01U H -0.136760 0.329019 0.378477 0.048 Uiso 1 1 calc R U . . .
C01V C 0.5543(4) 0.4047(3) 0.1935(2) 0.0334(12) Uani 1 1 d . . . . .
H01D H 0.586009 0.362925 0.206647 0.040 Uiso 1 1 calc R U . . .
H01J H 0.496779 0.414926 0.213255 0.040 Uiso 1 1 calc R U . . .
C01W C 0.1007(5) 0.0556(3) 0.4648(2) 0.0400(14) Uani 1 1 d . . . . .
H01W H 0.082537 0.056722 0.498616 0.048 Uiso 1 1 calc R U . . .
C01X C 0.7038(4) 0.4265(3) 0.3929(2) 0.0351(12) Uani 1 1 d . . . . .
H01X H 0.768174 0.441133 0.383952 0.042 Uiso 1 1 calc R U . . .
C01Y C 0.2906(5) 0.4826(3) 0.1865(2) 0.0342(12) Uani 1 1 d . . . . .
H01Y H 0.256298 0.461220 0.156802 0.041 Uiso 1 1 calc R U . . .
C01Z C 0.0480(5) 0.3215(4) 0.1070(2) 0.0515(18) Uani 1 1 d . . . . .
H01Z H -0.020345 0.321025 0.088929 0.062 Uiso 1 1 calc R U . . .
C020 C 0.3962(4) 0.0297(3) 0.4636(2) 0.0333(12) Uani 1 1 d . . . . .
H020 H 0.410136 -0.012595 0.451207 0.040 Uiso 1 1 calc R U . . .
C021 C 0.6917(4) 0.4178(3) 0.4438(2) 0.0336(12) Uani 1 1 d . . . . .
H021 H 0.747702 0.426629 0.470079 0.040 Uiso 1 1 calc R U . . .
C022 C 0.0692(4) 0.4950(3) 0.26497(19) 0.0329(12) Uani 1 1 d . . . . .
H022 H 0.126013 0.522436 0.260258 0.039 Uiso 1 1 calc R U . . .
C023 C 0.3957(4) 0.3983(3) 0.59001(18) 0.0285(11) Uani 1 1 d . . . . .
H023 H 0.374451 0.431751 0.611368 0.034 Uiso 1 1 calc R U . . .
C024 C 0.3912(5) 0.5450(3) 0.2728(2) 0.0412(14) Uani 1 1 d . . . . .
H024 H 0.425879 0.566675 0.302279 0.049 Uiso 1 1 calc R U . . .
C025 C 0.6217(4) 0.4139(3) 0.3550(2) 0.0341(12) Uani 1 1 d . . . . .
H025 H 0.629949 0.419946 0.319967 0.041 Uiso 1 1 calc R U . . .
C026 C 0.1281(5) 0.2915(3) 0.0860(2) 0.0424(14) Uani 1 1 d . . . . .
H026 H 0.115127 0.271604 0.053047 0.051 Uiso 1 1 calc R U . . .
C027 C 0.0677(5) 0.3521(3) 0.1546(2) 0.0398(14) Uani 1 1 d . . . . .
H027 H 0.013086 0.373550 0.168530 0.048 Uiso 1 1 calc R U . . .
C028 C 0.3507(5) 0.5377(3) 0.1815(2) 0.0407(14) Uani 1 1 d . . . . .
H028 H 0.357949 0.553814 0.148259 0.049 Uiso 1 1 calc R U . . .
C029 C 0.1059(5) -0.0035(3) 0.4403(2) 0.0435(15) Uani 1 1 d . . . . .
H029 H 0.093015 -0.043074 0.457309 0.052 Uiso 1 1 calc R U . . .
C02A C -0.0232(5) 0.5224(3) 0.2774(2) 0.0387(14) Uani 1 1 d . . . . .
H02A H -0.028500 0.568360 0.281761 0.046 Uiso 1 1 calc R U . . .
C02B C 0.0925(5) 0.4168(3) 0.5250(2) 0.0364(13) Uani 1 1 d . . . . .
H02I H 0.144504 0.385990 0.514689 0.044 Uiso 1 1 calc R U . . .
H02J H 0.118437 0.461833 0.520987 0.044 Uiso 1 1 calc R U . . .
C02C C -0.1861(4) 0.2485(4) 0.3369(2) 0.0429(15) Uani 1 1 d . . . . .
H02C H -0.257225 0.260355 0.331563 0.051 Uiso 1 1 calc R U . . .
C02D C 0.7046(5) 0.1651(4) 0.4909(2) 0.0480(16) Uani 1 1 d . . . . .
H02B H 0.723816 0.124651 0.473711 0.058 Uiso 1 1 calc R U . . .
H02D H 0.702095 0.154394 0.527438 0.058 Uiso 1 1 calc R U . . .
C02E C -0.1549(4) 0.1905(3) 0.3178(2) 0.0419(14) Uani 1 1 d . . . . .
H02E H -0.204615 0.161814 0.299827 0.050 Uiso 1 1 calc R U . . .
C02F C 0.1303(5) -0.0048(3) 0.3905(2) 0.0417(14) Uani 1 1 d . . . . .
H02F H 0.132768 -0.045449 0.373116 0.050 Uiso 1 1 calc R U . . .
C02G C 0.7884(8) 0.2161(7) 0.4879(4) 0.094(4) Uani 1 1 d . . . . .
H02G H 0.857217 0.195481 0.497253 0.113 Uiso 1 1 calc R U . . .
H02H H 0.784155 0.232095 0.452150 0.113 Uiso 1 1 calc R U . . .
C02I C 0.7776(11) 0.2449(9) 0.1779(9) 0.205(12) Uani 1 1 d . . . . .
H02K H 0.768626 0.249366 0.214584 0.246 Uiso 1 1 calc R U . . .
H02L H 0.716696 0.220502 0.160909 0.246 Uiso 1 1 calc R U . . .
Cl7 Cl 0.56197(10) 0.23479(6) 0.22985(5) 0.0325(3) Uani 1 1 d . . . . .
C1 C 0.7796(12) 0.2684(6) 0.5200(6) 0.130(5) Uani 1 1 d . . . . .
H1A H 0.722607 0.296664 0.505014 0.195 Uiso 1 1 calc R U . . .
H1B H 0.844432 0.293370 0.524415 0.195 Uiso 1 1 calc R U . . .
H1C H 0.765468 0.252367 0.553518 0.195 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os01 Cl6 2.5136(10) . ?
Os01 P005 2.4448(12) . ?
Os01 P006 2.3866(12) . ?
Os01 N00H 2.088(4) . ?
Os01 C013 1.954(5) . ?
Os01 C01L 2.070(5) . ?
P003 C00V 1.806(5) . ?
P003 C00X 1.779(5) . ?
P003 C01D 1.794(5) . ?
P003 C01S 1.812(5) . ?
P005 C00M 1.842(5) . ?
P005 C00P 1.837(5) . ?
P005 C00Z 1.838(5) . ?
P006 C00K 1.832(5) . ?
P006 C00L 1.843(6) . ?
P006 C017 1.826(5) . ?
Cl4 C02B 1.768(6) . ?
Cl C01V 1.762(5) . ?
Cl1 C01V 1.764(6) . ?
Cl5 C02B 1.747(5) . ?
Cl3 C02I 1.649(11) . ?
Cl2 C02I 1.708(14) . ?
O00D H00D 0.8400 . ?
O00D C00J 1.439(6) . ?
O00E C00Y 1.328(6) . ?
O00E C02D 1.463(7) . ?
F00F C01J 1.360(7) . ?
O00G C00Y 1.195(6) . ?
N00H N00I 1.369(6) . ?
N00H C01R 1.406(7) . ?
N00I C00Y 1.432(7) . ?
N00I C016 1.373(6) . ?
C00J H00J 1.0000 . ?
C00J C00X 1.508(7) . ?
C00J C013 1.527(6) . ?
C00K C00S 1.389(8) . ?
C00K C01I 1.407(8) . ?
C00L C014 1.383(8) . ?
C00L C01G 1.405(7) . ?
C00M C010 1.398(7) . ?
C00M C01O 1.390(7) . ?
C00N H00N 0.9500 . ?
C00N C00R 1.404(7) . ?
C00N C017 1.380(7) . ?
C00O H00O 0.9500 . ?
C00O C00P 1.396(7) . ?
C00O C01F 1.386(8) . ?
C00P C01A 1.398(8) . ?
C00Q H00Q 0.9500 . ?
C00Q C00R 1.381(8) . ?
C00Q C011 1.380(8) . ?
C00R H00R 0.9500 . ?
C00S H00S 0.9500 . ?
C00S C01U 1.384(8) . ?
C00T H00T 0.9500 . ?
C00T C01B 1.395(8) . ?
C00T C01H 1.399(7) . ?
C00U H00U 0.9500 . ?
C00U C00V 1.396(8) . ?
C00U C01M 1.399(8) . ?
C00V C022 1.390(8) . ?
C00W H00W 0.9500 . ?
C00W C011 1.392(7) . ?
C00W C017 1.400(7) . ?
C00X C01L 1.353(7) . ?
C00Z C01H 1.400(8) . ?
C00Z C01K 1.380(7) . ?
C010 H010 0.9500 . ?
C010 C025 1.388(8) . ?
C011 H011 0.9500 . ?
C012 H012 0.9500 . ?
C012 C01P 1.383(7) . ?
C012 C01S 1.407(7) . ?
C013 C016 1.372(7) . ?
C014 H014 0.9500 . ?
C014 C02F 1.382(8) . ?
C015 H015 0.9500 . ?
C015 C01R 1.395(8) . ?
C015 C020 1.387(8) . ?
C016 H016 0.9500 . ?
C018 H018 0.9500 . ?
C018 C01E 1.380(8) . ?
C018 C01J 1.372(9) . ?
C019 H019 0.9500 . ?
C019 C01A 1.380(8) . ?
C019 C01N 1.374(8) . ?
C01A H01A 0.9500 . ?
C01B H01B 0.9500 . ?
C01B C023 1.378(8) . ?
C01C H01C 0.9500 . ?
C01C C01M 1.378(9) . ?
C01C C02A 1.372(9) . ?
C01D C01Q 1.396(8) . ?
C01D C01Y 1.399(7) . ?
C01E H01E 0.9500 . ?
C01E C01R 1.392(7) . ?
C01F H01F 0.9500 . ?
C01F C01N 1.396(8) . ?
C01G H01G 0.9500 . ?
C01G C01W 1.389(8) . ?
C01H H01H 0.9500 . ?
C01I H01I 0.9500 . ?
C01I C02E 1.394(8) . ?
C01J C020 1.377(8) . ?
C01K H01K 0.9500 . ?
C01K C023 1.390(7) . ?
C01L H01L 0.9500 . ?
C01M H01M 0.9500 . ?
C01N H01N 0.9500 . ?
C01O H01O 0.9500 . ?
C01O C021 1.388(8) . ?
C01P H01P 0.9500 . ?
C01P C026 1.388(9) . ?
C01Q H01Q 0.9500 . ?
C01Q C024 1.375(9) . ?
C01S C027 1.389(8) . ?
C01T H01T 0.9500 . ?
C01T C024 1.390(9) . ?
C01T C028 1.369(9) . ?
C01U H01U 0.9500 . ?
C01U C02C 1.383(10) . ?
C01V H01D 0.9900 . ?
C01V H01J 0.9900 . ?
C01W H01W 0.9500 . ?
C01W C029 1.374(10) . ?
C01X H01X 0.9500 . ?
C01X C021 1.381(8) . ?
C01X C025 1.382(8) . ?
C01Y H01Y 0.9500 . ?
C01Y C028 1.389(9) . ?
C01Z H01Z 0.9500 . ?
C01Z C026 1.389(9) . ?
C01Z C027 1.391(8) . ?
C020 H020 0.9500 . ?
C021 H021 0.9500 . ?
C022 H022 0.9500 . ?
C022 C02A 1.406(8) . ?
C023 H023 0.9500 . ?
C024 H024 0.9500 . ?
C025 H025 0.9500 . ?
C026 H026 0.9500 . ?
C027 H027 0.9500 . ?
C028 H028 0.9500 . ?
C029 H029 0.9500 . ?
C029 C02F 1.390(9) . ?
C02A H02A 0.9500 . ?
C02B H02I 0.9900 . ?
C02B H02J 0.9900 . ?
C02C H02C 0.9500 . ?
C02C C02E 1.369(10) . ?
C02D H02B 0.9900 . ?
C02D H02D 0.9900 . ?
C02D C02G 1.520(12) . ?
C02E H02E 0.9500 . ?
C02F H02F 0.9500 . ?
C02G H02G 0.9900 . ?
C02G H02H 0.9900 . ?
C02G C1 1.376(18) . ?
C02I H02K 0.9900 . ?
C02I H02L 0.9900 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P005 Os01 Cl6 82.28(4) . . ?
P006 Os01 Cl6 87.04(4) . . ?
P006 Os01 P005 166.84(4) . . ?
N00H Os01 Cl6 99.69(10) . . ?
N00H Os01 P005 91.56(12) . . ?
N00H Os01 P006 97.83(12) . . ?
C013 Os01 Cl6 174.85(14) . . ?
C013 Os01 P005 92.72(14) . . ?
C013 Os01 P006 98.08(14) . . ?
C013 Os01 N00H 79.14(17) . . ?
C013 Os01 C01L 78.74(19) . . ?
C01L Os01 Cl6 102.43(13) . . ?
C01L Os01 P005 90.46(14) . . ?
C01L Os01 P006 84.33(14) . . ?
C01L Os01 N00H 157.86(16) . . ?
C00V P003 C01S 108.5(2) . . ?
C00X P003 C00V 109.3(2) . . ?
C00X P003 C01D 112.7(2) . . ?
C00X P003 C01S 112.7(2) . . ?
C01D P003 C00V 106.5(2) . . ?
C01D P003 C01S 106.9(2) . . ?
C00M P005 Os01 120.28(16) . . ?
C00P P005 Os01 114.11(16) . . ?
C00P P005 C00M 101.4(2) . . ?
C00P P005 C00Z 103.0(2) . . ?
C00Z P005 Os01 113.84(16) . . ?
C00Z P005 C00M 101.9(2) . . ?
C00K P006 Os01 118.35(18) . . ?
C00K P006 C00L 98.6(2) . . ?
C00L P006 Os01 121.85(16) . . ?
C017 P006 Os01 108.10(16) . . ?
C017 P006 C00K 104.1(2) . . ?
C017 P006 C00L 103.6(2) . . ?
C00J O00D H00D 109.5 . . ?
C00Y O00E C02D 114.7(4) . . ?
N00I N00H Os01 110.6(3) . . ?
N00I N00H C01R 114.5(4) . . ?
C01R N00H Os01 129.4(3) . . ?
N00H N00I C00Y 123.6(4) . . ?
N00H N00I C016 117.2(4) . . ?
C016 N00I C00Y 118.3(4) . . ?
O00D C00J H00J 109.1 . . ?
O00D C00J C00X 110.0(4) . . ?
O00D C00J C013 114.0(4) . . ?
C00X C00J H00J 109.1 . . ?
C00X C00J C013 105.2(4) . . ?
C013 C00J H00J 109.1 . . ?
C00S C00K P006 122.7(4) . . ?
C00S C00K C01I 118.5(5) . . ?
C01I C00K P006 118.8(4) . . ?
C014 C00L P006 123.9(4) . . ?
C014 C00L C01G 118.8(5) . . ?
C01G C00L P006 116.9(4) . . ?
C010 C00M P005 119.1(4) . . ?
C01O C00M P005 122.5(4) . . ?
C01O C00M C010 118.1(5) . . ?
C00R C00N H00N 119.8 . . ?
C017 C00N H00N 119.8 . . ?
C017 C00N C00R 120.4(5) . . ?
C00P C00O H00O 119.6 . . ?
C01F C00O H00O 119.6 . . ?
C01F C00O C00P 120.8(5) . . ?
C00O C00P P005 118.8(4) . . ?
C00O C00P C01A 118.8(5) . . ?
C01A C00P P005 122.4(4) . . ?
C00R C00Q H00Q 119.8 . . ?
C011 C00Q H00Q 119.8 . . ?
C011 C00Q C00R 120.3(4) . . ?
C00N C00R H00R 120.1 . . ?
C00Q C00R C00N 119.8(5) . . ?
C00Q C00R H00R 120.1 . . ?
C00K C00S H00S 119.8 . . ?
C01U C00S C00K 120.4(5) . . ?
C01U C00S H00S 119.8 . . ?
C01B C00T H00T 120.4 . . ?
C01B C00T C01H 119.2(5) . . ?
C01H C00T H00T 120.4 . . ?
C00V C00U H00U 120.0 . . ?
C00V C00U C01M 120.0(5) . . ?
C01M C00U H00U 120.0 . . ?
C00U C00V P003 120.2(4) . . ?
C022 C00V P003 120.0(4) . . ?
C022 C00V C00U 119.8(5) . . ?
C011 C00W H00W 119.8 . . ?
C011 C00W C017 120.4(5) . . ?
C017 C00W H00W 119.8 . . ?
C00J C00X P003 119.1(3) . . ?
C01L C00X P003 123.6(4) . . ?
C01L C00X C00J 117.3(4) . . ?
O00E C00Y N00I 110.7(4) . . ?
O00G C00Y O00E 127.0(5) . . ?
O00G C00Y N00I 122.2(4) . . ?
C01H C00Z P005 118.3(4) . . ?
C01K C00Z P005 122.7(4) . . ?
C01K C00Z C01H 119.0(4) . . ?
C00M C010 H010 119.8 . . ?
C025 C010 C00M 120.3(5) . . ?
C025 C010 H010 119.8 . . ?
C00Q C011 C00W 119.9(5) . . ?
C00Q C011 H011 120.0 . . ?
C00W C011 H011 120.0 . . ?
C01P C012 H012 120.2 . . ?
C01P C012 C01S 119.5(5) . . ?
C01S C012 H012 120.2 . . ?
C00J C013 Os01 120.1(3) . . ?
C016 C013 Os01 116.2(3) . . ?
C016 C013 C00J 123.7(4) . . ?
C00L C014 H014 119.6 . . ?
C02F C014 C00L 120.8(5) . . ?
C02F C014 H014 119.6 . . ?
C01R C015 H015 119.7 . . ?
C020 C015 H015 119.7 . . ?
C020 C015 C01R 120.7(5) . . ?
N00I C016 H016 122.5 . . ?
C013 C016 N00I 115.0(4) . . ?
C013 C016 H016 122.5 . . ?
C00N C017 P006 121.5(4) . . ?
C00N C017 C00W 119.1(4) . . ?
C00W C017 P006 119.0(4) . . ?
C01E C018 H018 120.5 . . ?
C01J C018 H018 120.5 . . ?
C01J C018 C01E 119.0(5) . . ?
C01A C019 H019 119.8 . . ?
C01N C019 H019 119.8 . . ?
C01N C019 C01A 120.5(5) . . ?
C00P C01A H01A 119.8 . . ?
C019 C01A C00P 120.3(5) . . ?
C019 C01A H01A 119.8 . . ?
C00T C01B H01B 119.7 . . ?
C023 C01B C00T 120.5(4) . . ?
C023 C01B H01B 119.7 . . ?
C01M C01C H01C 119.5 . . ?
C02A C01C H01C 119.5 . . ?
C02A C01C C01M 121.0(5) . . ?
C01Q C01D P003 119.7(4) . . ?
C01Q C01D C01Y 119.3(5) . . ?
C01Y C01D P003 120.9(4) . . ?
C018 C01E H01E 120.0 . . ?
C018 C01E C01R 120.1(5) . . ?
C01R C01E H01E 120.0 . . ?
C00O C01F H01F 120.4 . . ?
C00O C01F C01N 119.2(5) . . ?
C01N C01F H01F 120.4 . . ?
C00L C01G H01G 120.1 . . ?
C01W C01G C00L 119.9(5) . . ?
C01W C01G H01G 120.1 . . ?
C00T C01H C00Z 120.4(5) . . ?
C00T C01H H01H 119.8 . . ?
C00Z C01H H01H 119.8 . . ?
C00K C01I H01I 119.8 . . ?
C02E C01I C00K 120.4(6) . . ?
C02E C01I H01I 119.8 . . ?
F00F C01J C018 118.1(5) . . ?
F00F C01J C020 119.1(5) . . ?
C018 C01J C020 122.7(5) . . ?
C00Z C01K H01K 119.4 . . ?
C00Z C01K C023 121.2(5) . . ?
C023 C01K H01K 119.4 . . ?
Os01 C01L H01L 121.5 . . ?
C00X C01L Os01 116.9(4) . . ?
C00X C01L H01L 121.5 . . ?
C00U C01M H01M 120.2 . . ?
C01C C01M C00U 119.6(6) . . ?
C01C C01M H01M 120.2 . . ?
C019 C01N C01F 120.4(5) . . ?
C019 C01N H01N 119.8 . . ?
C01F C01N H01N 119.8 . . ?
C00M C01O H01O 119.3 . . ?
C021 C01O C00M 121.5(5) . . ?
C021 C01O H01O 119.3 . . ?
C012 C01P H01P 119.6 . . ?
C012 C01P C026 120.8(5) . . ?
C026 C01P H01P 119.6 . . ?
C01D C01Q H01Q 119.9 . . ?
C024 C01Q C01D 120.2(5) . . ?
C024 C01Q H01Q 119.9 . . ?
C015 C01R N00H 122.0(4) . . ?
C01E C01R N00H 118.4(4) . . ?
C01E C01R C015 119.5(5) . . ?
C012 C01S P003 119.2(4) . . ?
C027 C01S P003 121.2(4) . . ?
C027 C01S C012 119.7(5) . . ?
C024 C01T H01T 119.9 . . ?
C028 C01T H01T 119.9 . . ?
C028 C01T C024 120.2(6) . . ?
C00S C01U H01U 119.7 . . ?
C02C C01U C00S 120.5(6) . . ?
C02C C01U H01U 119.7 . . ?
Cl C01V Cl1 111.4(3) . . ?
Cl C01V H01D 109.4 . . ?
Cl C01V H01J 109.4 . . ?
Cl1 C01V H01D 109.4 . . ?
Cl1 C01V H01J 109.4 . . ?
H01D C01V H01J 108.0 . . ?
C01G C01W H01W 119.6 . . ?
C029 C01W C01G 120.8(5) . . ?
C029 C01W H01W 119.6 . . ?
C021 C01X H01X 120.2 . . ?
C021 C01X C025 119.7(5) . . ?
C025 C01X H01X 120.2 . . ?
C01D C01Y H01Y 120.2 . . ?
C028 C01Y C01D 119.7(5) . . ?
C028 C01Y H01Y 120.2 . . ?
C026 C01Z H01Z 120.0 . . ?
C026 C01Z C027 120.1(6) . . ?
C027 C01Z H01Z 120.0 . . ?
C015 C020 H020 121.0 . . ?
C01J C020 C015 118.0(5) . . ?
C01J C020 H020 121.0 . . ?
C01O C021 H021 120.1 . . ?
C01X C021 C01O 119.8(5) . . ?
C01X C021 H021 120.1 . . ?
C00V C022 H022 120.2 . . ?
C00V C022 C02A 119.6(6) . . ?
C02A C022 H022 120.2 . . ?
C01B C023 C01K 119.7(5) . . ?
C01B C023 H023 120.1 . . ?
C01K C023 H023 120.1 . . ?
C01Q C024 C01T 120.2(5) . . ?
C01Q C024 H024 119.9 . . ?
C01T C024 H024 119.9 . . ?
C010 C025 H025 119.7 . . ?
C01X C025 C010 120.6(5) . . ?
C01X C025 H025 119.7 . . ?
C01P C026 C01Z 119.7(5) . . ?
C01P C026 H026 120.1 . . ?
C01Z C026 H026 120.1 . . ?
C01S C027 C01Z 120.2(5) . . ?
C01S C027 H027 119.9 . . ?
C01Z C027 H027 119.9 . . ?
C01T C028 C01Y 120.5(5) . . ?
C01T C028 H028 119.8 . . ?
C01Y C028 H028 119.8 . . ?
C01W C029 H029 120.3 . . ?
C01W C029 C02F 119.5(5) . . ?
C02F C029 H029 120.3 . . ?
C01C C02A C022 120.0(6) . . ?
C01C C02A H02A 120.0 . . ?
C022 C02A H02A 120.0 . . ?
Cl4 C02B H02I 109.0 . . ?
Cl4 C02B H02J 109.0 . . ?
Cl5 C02B Cl4 112.8(3) . . ?
Cl5 C02B H02I 109.0 . . ?
Cl5 C02B H02J 109.0 . . ?
H02I C02B H02J 107.8 . . ?
C01U C02C H02C 119.9 . . ?
C02E C02C C01U 120.2(6) . . ?
C02E C02C H02C 119.9 . . ?
O00E C02D H02B 108.7 . . ?
O00E C02D H02D 108.7 . . ?
O00E C02D C02G 114.3(7) . . ?
H02B C02D H02D 107.6 . . ?
C02G C02D H02B 108.7 . . ?
C02G C02D H02D 108.7 . . ?
C01I C02E H02E 120.1 . . ?
C02C C02E C01I 119.9(6) . . ?
C02C C02E H02E 120.1 . . ?
C014 C02F C029 120.3(6) . . ?
C014 C02F H02F 119.9 . . ?
C029 C02F H02F 119.9 . . ?
C02D C02G H02G 109.1 . . ?
C02D C02G H02H 109.1 . . ?
H02G C02G H02H 107.9 . . ?
C1 C02G C02D 112.3(10) . . ?
C1 C02G H02G 109.1 . . ?
C1 C02G H02H 109.1 . . ?
Cl3 C02I Cl2 119.0(7) . . ?
Cl3 C02I H02K 107.6 . . ?
Cl3 C02I H02L 107.6 . . ?
Cl2 C02I H02K 107.6 . . ?
Cl2 C02I H02L 107.6 . . ?
H02K C02I H02L 107.0 . . ?
C02G C1 H1A 109.5 . . ?
C02G C1 H1B 109.5 . . ?
C02G C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Os01 P005 C00M C010 53.6(5) . . . . ?
Os01 P005 C00M C01O -133.2(4) . . . . ?
Os01 P005 C00P C00O 35.2(4) . . . . ?
Os01 P005 C00P C01A -145.1(3) . . . . ?
Os01 P005 C00Z C01H 57.8(4) . . . . ?
Os01 P005 C00Z C01K -122.5(4) . . . . ?
Os01 P006 C00K C00S -11.2(5) . . . . ?
Os01 P006 C00K C01I 172.7(3) . . . . ?
Os01 P006 C00L C014 -124.9(4) . . . . ?
Os01 P006 C00L C01G 61.4(5) . . . . ?
Os01 P006 C017 C00N -104.0(4) . . . . ?
Os01 P006 C017 C00W 68.8(4) . . . . ?
Os01 N00H N00I C00Y 160.0(4) . . . . ?
Os01 N00H N00I C016 -9.2(5) . . . . ?
Os01 N00H C01R C015 115.1(5) . . . . ?
Os01 N00H C01R C01E -60.4(6) . . . . ?
Os01 C013 C016 N00I 11.1(6) . . . . ?
P003 C00V C022 C02A -179.9(4) . . . . ?
P003 C00X C01L Os01 -176.0(3) . . . . ?
P003 C01D C01Q C024 -174.0(5) . . . . ?
P003 C01D C01Y C028 174.7(5) . . . . ?
P003 C01S C027 C01Z 179.4(6) . . . . ?
P005 C00M C010 C025 173.6(4) . . . . ?
P005 C00M C01O C021 -173.2(4) . . . . ?
P005 C00P C01A C019 -179.9(4) . . . . ?
P005 C00Z C01H C00T -179.8(4) . . . . ?
P005 C00Z C01K C023 -179.6(4) . . . . ?
P006 C00K C00S C01U -177.7(4) . . . . ?
P006 C00K C01I C02E 179.3(4) . . . . ?
P006 C00L C014 C02F -173.7(5) . . . . ?
P006 C00L C01G C01W 173.9(4) . . . . ?
O00D C00J C00X P003 45.2(5) . . . . ?
O00D C00J C00X C01L -133.9(4) . . . . ?
O00D C00J C013 Os01 135.5(3) . . . . ?
O00D C00J C013 C016 -44.3(6) . . . . ?
O00E C02D C02G C1 71.5(11) . . . . ?
F00F C01J C020 C015 -180.0(5) . . . . ?
N00H N00I C00Y O00E -25.8(7) . . . . ?
N00H N00I C00Y O00G 157.9(5) . . . . ?
N00H N00I C016 C013 -0.5(6) . . . . ?
N00I N00H C01R C015 -35.9(6) . . . . ?
N00I N00H C01R C01E 148.7(4) . . . . ?
C00J C00X C01L Os01 3.1(6) . . . . ?
C00J C013 C016 N00I -169.1(4) . . . . ?
C00K P006 C00L C014 103.8(5) . . . . ?
C00K P006 C00L C01G -69.9(4) . . . . ?
C00K P006 C017 C00N 22.7(5) . . . . ?
C00K P006 C017 C00W -164.5(4) . . . . ?
C00K C00S C01U C02C -1.2(8) . . . . ?
C00K C01I C02E C02C -1.6(9) . . . . ?
C00L P006 C00K C00S 122.3(4) . . . . ?
C00L P006 C00K C01I -53.8(4) . . . . ?
C00L P006 C017 C00N 125.4(4) . . . . ?
C00L P006 C017 C00W -61.7(4) . . . . ?
C00L C014 C02F C029 -0.3(9) . . . . ?
C00L C01G C01W C029 0.9(9) . . . . ?
C00M P005 C00P C00O 166.0(3) . . . . ?
C00M P005 C00P C01A -14.3(4) . . . . ?
C00M P005 C00Z C01H -73.2(4) . . . . ?
C00M P005 C00Z C01K 106.4(4) . . . . ?
C00M C010 C025 C01X -0.1(8) . . . . ?
C00M C01O C021 C01X -0.3(9) . . . . ?
C00O C00P C01A C019 -0.3(7) . . . . ?
C00O C01F C01N C019 0.0(7) . . . . ?
C00P P005 C00M C010 -73.3(4) . . . . ?
C00P P005 C00M C01O 99.9(5) . . . . ?
C00P P005 C00Z C01H -178.1(4) . . . . ?
C00P P005 C00Z C01K 1.6(5) . . . . ?
C00P C00O C01F C01N 0.0(7) . . . . ?
C00R C00N C017 P006 172.9(4) . . . . ?
C00R C00N C017 C00W 0.0(7) . . . . ?
C00R C00Q C011 C00W 0.0(8) . . . . ?
C00S C00K C01I C02E 3.0(8) . . . . ?
C00S C01U C02C C02E 2.7(9) . . . . ?
C00T C01B C023 C01K 2.3(8) . . . . ?
C00U C00V C022 C02A 0.3(7) . . . . ?
C00V P003 C00X C00J 172.0(4) . . . . ?
C00V P003 C00X C01L -8.9(5) . . . . ?
C00V P003 C01D C01Q 77.5(5) . . . . ?
C00V P003 C01D C01Y -98.0(5) . . . . ?
C00V P003 C01S C012 179.5(4) . . . . ?
C00V P003 C01S C027 0.6(5) . . . . ?
C00V C00U C01M C01C -1.5(8) . . . . ?
C00V C022 C02A C01C -1.1(8) . . . . ?
C00X P003 C00V C00U -60.6(4) . . . . ?
C00X P003 C00V C022 119.7(4) . . . . ?
C00X P003 C01D C01Q -42.3(5) . . . . ?
C00X P003 C01D C01Y 142.2(4) . . . . ?
C00X P003 C01S C012 -59.4(5) . . . . ?
C00X P003 C01S C027 121.8(5) . . . . ?
C00X C00J C013 Os01 14.8(5) . . . . ?
C00X C00J C013 C016 -165.0(4) . . . . ?
C00Y O00E C02D C02G 80.1(7) . . . . ?
C00Y N00I C016 C013 -170.3(4) . . . . ?
C00Z P005 C00M C010 -179.4(4) . . . . ?
C00Z P005 C00M C01O -6.2(5) . . . . ?
C00Z P005 C00P C00O -88.7(4) . . . . ?
C00Z P005 C00P C01A 91.0(4) . . . . ?
C00Z C01K C023 C01B -1.5(8) . . . . ?
C010 C00M C01O C021 0.1(8) . . . . ?
C011 C00Q C00R C00N 0.7(8) . . . . ?
C011 C00W C017 P006 -172.4(4) . . . . ?
C011 C00W C017 C00N 0.6(7) . . . . ?
C012 C01P C026 C01Z -1.1(10) . . . . ?
C012 C01S C027 C01Z 0.6(9) . . . . ?
C013 C00J C00X P003 168.5(3) . . . . ?
C013 C00J C00X C01L -10.6(6) . . . . ?
C014 C00L C01G C01W -0.1(8) . . . . ?
C016 N00I C00Y O00E 143.3(4) . . . . ?
C016 N00I C00Y O00G -33.1(7) . . . . ?
C017 P006 C00K C00S -131.2(4) . . . . ?
C017 P006 C00K C01I 52.7(4) . . . . ?
C017 P006 C00L C014 -3.1(5) . . . . ?
C017 P006 C00L C01G -176.8(4) . . . . ?
C017 C00N C00R C00Q -0.7(7) . . . . ?
C017 C00W C011 C00Q -0.6(8) . . . . ?
C018 C01E C01R N00H 177.1(5) . . . . ?
C018 C01E C01R C015 1.5(8) . . . . ?
C018 C01J C020 C015 1.9(8) . . . . ?
C01A C019 C01N C01F -0.1(7) . . . . ?
C01B C00T C01H C00Z 0.2(8) . . . . ?
C01D P003 C00V C00U 177.4(4) . . . . ?
C01D P003 C00V C022 -2.3(4) . . . . ?
C01D P003 C00X C00J -69.8(4) . . . . ?
C01D P003 C00X C01L 109.3(4) . . . . ?
C01D P003 C01S C012 64.9(5) . . . . ?
C01D P003 C01S C027 -113.9(5) . . . . ?
C01D C01Q C024 C01T -0.8(9) . . . . ?
C01D C01Y C028 C01T -0.5(9) . . . . ?
C01E C018 C01J F00F -179.4(5) . . . . ?
C01E C018 C01J C020 -1.3(9) . . . . ?
C01F C00O C00P P005 179.8(4) . . . . ?
C01F C00O C00P C01A 0.2(7) . . . . ?
C01G C00L C014 C02F -0.2(8) . . . . ?
C01G C01W C029 C02F -1.4(9) . . . . ?
C01H C00T C01B C023 -1.6(8) . . . . ?
C01H C00Z C01K C023 0.1(7) . . . . ?
C01I C00K C00S C01U -1.6(8) . . . . ?
C01J C018 C01E C01R -0.4(8) . . . . ?
C01K C00Z C01H C00T 0.5(8) . . . . ?
C01M C00U C00V P003 -178.8(4) . . . . ?
C01M C00U C00V C022 0.9(7) . . . . ?
C01M C01C C02A C022 0.5(8) . . . . ?
C01N C019 C01A C00P 0.2(7) . . . . ?
C01O C00M C010 C025 0.1(8) . . . . ?
C01P C012 C01S P003 -178.7(4) . . . . ?
C01P C012 C01S C027 0.1(8) . . . . ?
C01Q C01D C01Y C028 -0.9(8) . . . . ?
C01R N00H N00I C00Y -43.6(6) . . . . ?
C01R N00H N00I C016 147.2(4) . . . . ?
C01R C015 C020 C01J -0.8(8) . . . . ?
C01S P003 C00V C00U 62.6(4) . . . . ?
C01S P003 C00V C022 -117.1(4) . . . . ?
C01S P003 C00X C00J 51.3(4) . . . . ?
C01S P003 C00X C01L -129.6(4) . . . . ?
C01S P003 C01D C01Q -166.6(4) . . . . ?
C01S P003 C01D C01Y 17.8(5) . . . . ?
C01S C012 C01P C026 0.1(8) . . . . ?
C01U C02C C02E C01I -1.3(9) . . . . ?
C01W C029 C02F C014 1.1(10) . . . . ?
C01Y C01D C01Q C024 1.6(8) . . . . ?
C020 C015 C01R N00H -176.3(5) . . . . ?
C020 C015 C01R C01E -0.9(8) . . . . ?
C021 C01X C025 C010 -0.1(9) . . . . ?
C024 C01T C028 C01Y 1.3(10) . . . . ?
C025 C01X C021 C01O 0.3(9) . . . . ?
C026 C01Z C027 C01S -1.6(11) . . . . ?
C027 C01Z C026 C01P 1.8(11) . . . . ?
C028 C01T C024 C01Q -0.6(9) . . . . ?
C02A C01C C01M C00U 0.8(8) . . . . ?
C02D O00E C00Y O00G -1.5(8) . . . . ?
C02D O00E C00Y N00I -177.6(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_czw_mr_218_3_20221022_0m
_database_code_depnum_ccdc_archive 'CCDC 2233813'
loop_
_audit_author_name
_audit_author_address
'Zhenwei Chu'
;Department of chemistry, Southern University of Science and Technology
China
;
_audit_update_record             
;
2023-01-02 deposited with the CCDC.	2023-03-14 downloaded from the CCDC.
;
_audit_creation_date             2022-10-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C70 H63 Cl N2 O4 Os P3, Cl, 3(C H2 Cl2)'
_chemical_formula_sum            'C73 H69 Cl8 N2 O4 Os P3'
_chemical_formula_weight         1605.01
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.8076(5)
_cell_length_b                   20.4760(8)
_cell_length_c                   26.9271(10)
_cell_angle_alpha                90
_cell_angle_beta                 97.668(2)
_cell_angle_gamma                90
_cell_volume                     6998.4(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9631
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      66.63
_cell_measurement_theta_min      3.48
_shelx_estimated_absorpt_T_max   0.593
_shelx_estimated_absorpt_T_min   0.388
_exptl_absorpt_coefficient_mu    7.300
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.6575
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0583 before and 0.0370 after correction.
The Ratio of minimum to maximum transmission is 0.8734.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3240
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0213
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            61949
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        66.636
_diffrn_reflns_theta_max         66.636
_diffrn_reflns_theta_min         2.720
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Bruker PHOTON II area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CMOS area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11856
_reflns_number_total             12350
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2014'
_refine_diff_density_max         1.077
_refine_diff_density_min         -0.900
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     823
_refine_ls_number_reflns         12350
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0228
_refine_ls_R_factor_gt           0.0209
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0187P)²+8.6901P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0484
_refine_ls_wR_factor_ref         0.0490
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Uiso/Uaniso restraints and constraints
Cl0C \\sim C02B \\sim Cl07: within 2A with sigma of 0.05 and sigma for terminal
atoms of 0.1 within 2A
Uanis(C02J) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Ternary CH refined with riding coordinates:
 C00N(H00N)
3.b Secondary CH2 refined with riding coordinates:
 C01R(H01A,H01D), C02A(H02P,H02Q), C02B(H02N,H02O), C02H(H02I,H02J), C02J(H02R,
 H02S)
3.c Aromatic/amide H refined with riding coordinates:
 C00J(H00J), C00K(H00K), C00M(H00M), C00Q(H00Q), C00R(H00R), C00T(H00T),
 C00U(H00U), C00W(H00W), C00Y(H00Y), C00Z(H00Z), C010(H010), C011(H011),
 C012(H012), C015(H015), C017(H017), C019(H019), C01B(H01B), C01C(H01C),
 C01F(H01F), C01G(H01G), C01H(H01H), C01I(H01I), C01K(H01K), C01L(H01L),
 C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q), C01S(H01S),
 C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W), C01X(H01X), C01Y(H01Y),
 C01Z(H01Z), C020(H020), C021(H021), C022(H022), C023(H023), C024(H024),
 C025(H025), C026(H026), C027(H027), C029(H029), C02C(H02D), C02D(H02E),
 C02E(H02F), C02F(H02G), C02G(H02H)
3.d Idealised Me refined as rotating group:
 C028(H02A,H02B,H02C), C02I(H02K,H02L,H02M)
3.e Idealised tetrahedral OH refined as rotating group:
 O00D(H00D)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os01 Os 0.28078(2) 0.72924(2) 0.39277(2) 0.00875(3) Uani 1 1 d . . . . .
Cl02 Cl 0.17552(4) 0.71856(2) 0.46512(2) 0.01411(9) Uani 1 1 d . . . . .
P03 P 0.37939(4) 0.63894(2) 0.43650(2) 0.01062(9) Uani 1 1 d . . . . .
P004 P 0.19140(4) 0.60199(2) 0.25002(2) 0.01147(9) Uani 1 1 d . . . . .
Cl05 Cl 0.55542(4) 0.75435(2) 0.22682(2) 0.02377(11) Uani 1 1 d . . . . .
P06 P 0.15165(4) 0.80454(2) 0.35587(2) 0.01132(9) Uani 1 1 d . . . . .
Cl07 Cl -0.03035(4) 0.59258(3) 0.48598(2) 0.02832(12) Uani 1 1 d . U . . .
Cl08 Cl 0.48877(5) 0.59153(3) 0.12554(2) 0.03821(14) Uani 1 1 d . . . . .
Cl09 Cl 0.63710(5) 0.52596(3) 0.20064(3) 0.04407(16) Uani 1 1 d . . . . .
Cl0A Cl 0.76120(6) 0.67431(4) 0.14122(3) 0.05031(17) Uani 1 1 d . . . . .
Cl0B Cl 0.87668(6) 0.79418(4) 0.17012(3) 0.05444(19) Uani 1 1 d . . . . .
Cl0C Cl 0.07580(7) 0.61084(5) 0.58802(3) 0.0628(3) Uani 1 1 d . U . . .
O00D O 0.41441(11) 0.66062(6) 0.27076(5) 0.0133(3) Uani 1 1 d . . . . .
H00D H 0.456517 0.684581 0.257714 0.020 Uiso 1 1 calc R U . . .
O00E O 0.64120(11) 0.84073(7) 0.39140(5) 0.0202(3) Uani 1 1 d . . . . .
O00F O 0.59394(12) 0.80695(7) 0.46504(5) 0.0206(3) Uani 1 1 d . . . . .
O00G O 0.31477(14) 1.02213(7) 0.52641(6) 0.0264(4) Uani 1 1 d . . . . .
N00H N 0.39265(13) 0.79673(8) 0.42232(6) 0.0123(3) Uani 1 1 d . . . . .
N00I N 0.47558(13) 0.79845(8) 0.39517(6) 0.0130(3) Uani 1 1 d . . . . .
C00J C 0.20292(15) 0.66494(9) 0.34117(7) 0.0117(4) Uani 1 1 d . . . . .
H00J H 0.142973 0.641038 0.348130 0.014 Uiso 1 1 calc R U . . .
C00K C 0.31517(17) 0.90342(10) 0.52112(7) 0.0181(4) Uani 1 1 d . . . . .
H00K H 0.284490 0.899081 0.551185 0.022 Uiso 1 1 calc R U . . .
C00L C 0.31363(16) 0.55930(9) 0.42672(7) 0.0133(4) Uani 1 1 d . . . . .
C00M C 0.20360(16) 0.55647(10) 0.42276(7) 0.0147(4) Uani 1 1 d . . . . .
H00M H 0.164440 0.595368 0.425677 0.018 Uiso 1 1 calc R U . . .
C00N C 0.33598(15) 0.70018(9) 0.28908(7) 0.0113(4) Uani 1 1 d . . . . .
H00N H 0.312947 0.734901 0.263867 0.014 Uiso 1 1 calc R U . . .
C00O C 0.24164(15) 0.65863(9) 0.29701(7) 0.0114(4) Uani 1 1 d . . . . .
C00P C 0.37061(15) 0.73207(9) 0.33953(7) 0.0112(4) Uani 1 1 d . . . . .
C00Q C -0.02054(17) 0.72240(10) 0.36867(8) 0.0183(4) Uani 1 1 d . . . . .
H00Q H 0.028782 0.695592 0.388780 0.022 Uiso 1 1 calc R U . . .
C00R C 0.12123(16) 0.79923(9) 0.25014(7) 0.0146(4) Uani 1 1 d . . . . .
H00R H 0.059886 0.774189 0.253027 0.018 Uiso 1 1 calc R U . . .
C00S C 0.13373(16) 0.88439(10) 0.38506(8) 0.0168(4) Uani 1 1 d . . . . .
C00T C 0.47533(17) 0.71018(10) 0.57747(8) 0.0183(4) Uani 1 1 d . . . . .
H00T H 0.510879 0.748078 0.591272 0.022 Uiso 1 1 calc R U . . .
C00U C 0.46554(16) 0.76388(9) 0.35096(7) 0.0124(4) Uani 1 1 d . . . . .
H00U H 0.519632 0.762103 0.330051 0.015 Uiso 1 1 calc R U . . .
C00V C 0.40200(15) 0.64718(9) 0.50491(7) 0.0134(4) Uani 1 1 d . . . . .
C00W C 0.25451(17) 0.66723(10) 0.16838(7) 0.0159(4) Uani 1 1 d . . . . .
H00W H 0.322528 0.667958 0.187407 0.019 Uiso 1 1 calc R U . . .
C00X C 0.51201(16) 0.61829(9) 0.42242(7) 0.0141(4) Uani 1 1 d . . . . .
C00Y C 0.44469(17) 0.66221(11) 0.60899(8) 0.0192(4) Uani 1 1 d . . . . .
H00Y H 0.458397 0.667414 0.644318 0.023 Uiso 1 1 calc R U . . .
C00Z C 0.15206(17) 0.80980(10) 0.20320(8) 0.0177(4) Uani 1 1 d . . . . .
H00Z H 0.111631 0.792023 0.174197 0.021 Uiso 1 1 calc R U . . .
C010 C 0.30052(17) 0.87218(10) 0.24103(8) 0.0182(4) Uani 1 1 d . . . . .
H010 H 0.361567 0.897399 0.237900 0.022 Uiso 1 1 calc R U . . .
C011 C 0.24136(17) 0.84611(10) 0.19854(8) 0.0188(4) Uani 1 1 d . . . . .
H011 H 0.262235 0.853212 0.166422 0.023 Uiso 1 1 calc R U . . .
C012 C 0.45410(16) 0.70288(10) 0.52566(7) 0.0157(4) Uani 1 1 d . . . . .
H012 H 0.475115 0.735913 0.504287 0.019 Uiso 1 1 calc R U . . .
C013 C 0.33891(17) 0.96501(10) 0.50400(8) 0.0190(4) Uani 1 1 d . . . . .
C014 C 0.06830(16) 0.56869(10) 0.26433(7) 0.0160(4) Uani 1 1 d . . . . .
C015 C 0.27041(16) 0.86137(9) 0.28790(8) 0.0153(4) Uani 1 1 d . . . . .
H015 H 0.311651 0.878703 0.316844 0.018 Uiso 1 1 calc R U . . .
C016 C 0.38233(15) 0.85420(9) 0.45054(7) 0.0130(4) Uani 1 1 d . . . . .
C017 C 0.13975(19) 0.69375(11) 0.09276(8) 0.0230(5) Uani 1 1 d . . . . .
H017 H 0.129148 0.713045 0.060398 0.028 Uiso 1 1 calc R U . . .
C018 C 0.17974(15) 0.82513(9) 0.29298(7) 0.0131(4) Uani 1 1 d . . . . .
C019 C 0.36977(17) 0.50150(10) 0.42318(7) 0.0166(4) Uani 1 1 d . . . . .
H019 H 0.444539 0.502477 0.426579 0.020 Uiso 1 1 calc R U . . .
C01A C 0.01352(16) 0.77838(10) 0.34634(7) 0.0160(4) Uani 1 1 d . . . . .
C01B C 0.23851(18) 0.69514(10) 0.12100(8) 0.0190(4) Uani 1 1 d . . . . .
H01B H 0.295671 0.715350 0.107819 0.023 Uiso 1 1 calc R U . . .
C01C C 0.14359(19) 0.94401(11) 0.36149(9) 0.0239(5) Uani 1 1 d . . . . .
H01C H 0.165920 0.945222 0.329244 0.029 Uiso 1 1 calc R U . . .
C01D C 0.57956(16) 0.81944(9) 0.41660(7) 0.0143(4) Uani 1 1 d . . . . .
C01E C 0.17008(16) 0.63798(9) 0.18805(7) 0.0144(4) Uani 1 1 d . . . . .
C01F C 0.40871(17) 0.91632(10) 0.43425(7) 0.0173(4) Uani 1 1 d . . . . .
H01F H 0.441542 0.920681 0.404803 0.021 Uiso 1 1 calc R U . . .
C01G C 0.31671(18) 0.44241(10) 0.41469(8) 0.0201(4) Uani 1 1 d . . . . .
H01G H 0.355480 0.403318 0.411924 0.024 Uiso 1 1 calc R U . . .
C01H C -0.12686(18) 0.70563(12) 0.36156(9) 0.0253(5) Uani 1 1 d . . . . .
H01H H -0.149862 0.667834 0.377451 0.030 Uiso 1 1 calc R U . . .
C01I C 0.38716(18) 0.97109(10) 0.46082(8) 0.0204(4) Uani 1 1 d . . . . .
H01I H 0.405251 1.013101 0.449667 0.024 Uiso 1 1 calc R U . . .
C01J C 0.27871(16) 0.53373(9) 0.24709(7) 0.0141(4) Uani 1 1 d . . . . .
C01K C 0.40083(18) 0.42205(10) 0.24536(9) 0.0239(5) Uani 1 1 d . . . . .
H01K H 0.442208 0.383617 0.244821 0.029 Uiso 1 1 calc R U . . .
C01L C 0.59427(16) 0.60384(10) 0.46039(8) 0.0176(4) Uani 1 1 d . . . . .
H01L H 0.584904 0.610447 0.494438 0.021 Uiso 1 1 calc R U . . .
C01M C -0.01805(18) 0.60965(11) 0.26685(8) 0.0230(5) Uani 1 1 d . . . . .
H01M H -0.011624 0.655355 0.262017 0.028 Uiso 1 1 calc R U . . .
C01N C 0.33629(16) 0.84858(10) 0.49433(7) 0.0160(4) Uani 1 1 d . . . . .
H01N H 0.319211 0.806584 0.505906 0.019 Uiso 1 1 calc R U . . .
C01O C 0.52802(17) 0.60865(10) 0.37279(8) 0.0184(4) Uani 1 1 d . . . . .
H01O H 0.473197 0.618540 0.346499 0.022 Uiso 1 1 calc R U . . .
C01P C 0.37268(16) 0.59900(10) 0.53680(7) 0.0153(4) Uani 1 1 d . . . . .
H01P H 0.338012 0.560711 0.523200 0.018 Uiso 1 1 calc R U . . .
C01Q C 0.68953(17) 0.57992(10) 0.44878(8) 0.0208(4) Uani 1 1 d . . . . .
H01Q H 0.744844 0.570324 0.474904 0.025 Uiso 1 1 calc R U . . .
C01R C 0.70102(17) 0.81711(11) 0.49079(8) 0.0220(4) Uani 1 1 d . . . . .
H01A H 0.699477 0.818468 0.527436 0.026 Uiso 1 1 calc R U . . .
H01D H 0.728216 0.859555 0.480456 0.026 Uiso 1 1 calc R U . . .
C01S C 0.07141(18) 0.63625(12) 0.15949(8) 0.0243(5) Uani 1 1 d . . . . .
H01S H 0.013964 0.616035 0.172432 0.029 Uiso 1 1 calc R U . . .
C01T C 0.33608(19) 0.51088(11) 0.29098(8) 0.0235(5) Uani 1 1 d . . . . .
H01T H 0.333770 0.533363 0.321678 0.028 Uiso 1 1 calc R U . . .
C01U C 0.70439(17) 0.56997(10) 0.39936(9) 0.0225(5) Uani 1 1 d . . . . .
H01U H 0.769390 0.553226 0.391498 0.027 Uiso 1 1 calc R U . . .
C01V C 0.09951(19) 0.88372(11) 0.43208(8) 0.0243(5) Uani 1 1 d . . . . .
H01V H 0.092449 0.843370 0.448717 0.029 Uiso 1 1 calc R U . . .
C01W C 0.3443(2) 0.44530(11) 0.20165(9) 0.0276(5) Uani 1 1 d . . . . .
H01W H 0.347470 0.423008 0.170946 0.033 Uiso 1 1 calc R U . . .
C01X C 0.20791(18) 0.44019(10) 0.41024(8) 0.0211(4) Uani 1 1 d . . . . .
H01X H 0.171939 0.399800 0.404226 0.025 Uiso 1 1 calc R U . . .
C01Y C 0.62355(18) 0.58467(11) 0.36141(8) 0.0227(5) Uani 1 1 d . . . . .
H01Y H 0.633545 0.578305 0.327422 0.027 Uiso 1 1 calc R U . . .
C01Z C 0.28300(19) 0.50094(10) 0.20238(8) 0.0227(5) Uani 1 1 d . . . . .
H01Z H 0.243940 0.516605 0.172260 0.027 Uiso 1 1 calc R U . . .
C020 C 0.15150(17) 0.49752(10) 0.41465(8) 0.0187(4) Uani 1 1 d . . . . .
H020 H 0.076829 0.496134 0.412063 0.022 Uiso 1 1 calc R U . . .
C021 C 0.0567(2) 0.66409(13) 0.11198(9) 0.0299(5) Uani 1 1 d . . . . .
H021 H -0.010825 0.662744 0.092559 0.036 Uiso 1 1 calc R U . . .
C022 C -0.12197(19) 0.51711(13) 0.28463(9) 0.0300(5) Uani 1 1 d . . . . .
H022 H -0.187169 0.499429 0.291417 0.036 Uiso 1 1 calc R U . . .
C023 C 0.05873(18) 0.50184(11) 0.27248(8) 0.0218(4) Uani 1 1 d . . . . .
H023 H 0.117160 0.473718 0.270844 0.026 Uiso 1 1 calc R U . . .
C024 C -0.06123(17) 0.81776(11) 0.31745(8) 0.0220(4) Uani 1 1 d . . . . .
H024 H -0.039541 0.857035 0.303075 0.026 Uiso 1 1 calc R U . . .
C025 C 0.3969(2) 0.45490(12) 0.28976(9) 0.0288(5) Uani 1 1 d . . . . .
H025 H 0.436202 0.439109 0.319785 0.035 Uiso 1 1 calc R U . . .
C026 C 0.39398(17) 0.60669(10) 0.58860(7) 0.0180(4) Uani 1 1 d . . . . .
H026 H 0.373567 0.573611 0.610090 0.022 Uiso 1 1 calc R U . . .
C027 C -0.0366(2) 0.47647(12) 0.28300(9) 0.0287(5) Uani 1 1 d . . . . .
H027 H -0.042923 0.431034 0.289086 0.034 Uiso 1 1 calc R U . . .
C028 C 0.2566(2) 1.01617(11) 0.56810(9) 0.0290(5) Uani 1 1 d . . . . .
H02A H 0.190344 0.993135 0.557494 0.044 Uiso 1 1 calc R U . . .
H02B H 0.241467 1.059763 0.580345 0.044 Uiso 1 1 calc R U . . .
H02C H 0.298366 0.991540 0.594974 0.044 Uiso 1 1 calc R U . . .
C029 C 0.0757(2) 0.94178(12) 0.45466(9) 0.0327(6) Uani 1 1 d . . . . .
H029 H 0.051617 0.940864 0.486518 0.039 Uiso 1 1 calc R U . . .
C02A C 0.54067(19) 0.58771(11) 0.18969(9) 0.0249(5) Uani 1 1 d . . . . .
H02P H 0.572360 0.630365 0.200437 0.030 Uiso 1 1 calc R U . . .
H02Q H 0.482999 0.578774 0.209829 0.030 Uiso 1 1 calc R U . . .
C02B C 0.08985(18) 0.58691(11) 0.52669(8) 0.0234(5) Uani 1 1 d . U . . .
H02N H 0.115578 0.541298 0.527084 0.028 Uiso 1 1 calc R U . . .
H02O H 0.143196 0.614992 0.513839 0.028 Uiso 1 1 calc R U . . .
C02C C -0.11323(19) 0.58341(12) 0.27643(10) 0.0299(5) Uani 1 1 d . . . . .
H02D H -0.172500 0.611065 0.277363 0.036 Uiso 1 1 calc R U . . .
C02D C 0.0868(2) 1.00084(12) 0.43124(10) 0.0342(6) Uani 1 1 d . . . . .
H02E H 0.071001 1.040464 0.447008 0.041 Uiso 1 1 calc R U . . .
C02E C -0.19929(18) 0.74351(13) 0.33158(9) 0.0290(5) Uani 1 1 d . . . . .
H02F H -0.271314 0.730970 0.325993 0.035 Uiso 1 1 calc R U . . .
C02F C -0.16639(18) 0.79968(13) 0.30979(9) 0.0288(5) Uani 1 1 d . . . . .
H02G H -0.216113 0.826003 0.289464 0.035 Uiso 1 1 calc R U . . .
C02G C 0.1209(2) 1.00195(11) 0.38485(10) 0.0324(6) Uani 1 1 d . . . . .
H02H H 0.129064 1.042539 0.368705 0.039 Uiso 1 1 calc R U . . .
C02H C 0.7733(3) 0.76310(14) 0.47854(13) 0.0496(8) Uani 1 1 d . . . . .
H02I H 0.776148 0.762511 0.441986 0.060 Uiso 1 1 calc R U . . .
H02J H 0.744929 0.720574 0.488021 0.060 Uiso 1 1 calc R U . . .
C02I C 0.8838(3) 0.77223(17) 0.50614(14) 0.0539(9) Uani 1 1 d . . . . .
H02K H 0.930299 0.738403 0.495568 0.081 Uiso 1 1 calc R U . . .
H02L H 0.882034 0.768780 0.542314 0.081 Uiso 1 1 calc R U . . .
H02M H 0.910383 0.815398 0.498320 0.081 Uiso 1 1 calc R U . . .
C02J C 0.7600(4) 0.7552(3) 0.1606(3) 0.116(2) Uani 1 1 d . U . . .
H02R H 0.712817 0.779996 0.135257 0.140 Uiso 1 1 calc R U . . .
H02S H 0.728573 0.756730 0.192272 0.140 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os01 Cl02 2.5221(4) . ?
Os01 P03 2.4501(5) . ?
Os01 P06 2.3795(5) . ?
Os01 N00H 2.0716(16) . ?
Os01 C00J 2.0710(19) . ?
Os01 C00P 1.955(2) . ?
P03 C00L 1.838(2) . ?
P03 C00V 1.8340(19) . ?
P03 C00X 1.838(2) . ?
P004 C00O 1.7727(19) . ?
P004 C014 1.806(2) . ?
P004 C01E 1.8113(19) . ?
P004 C01J 1.798(2) . ?
P06 C00S 1.842(2) . ?
P06 C018 1.827(2) . ?
P06 C01A 1.833(2) . ?
Cl07 C02B 1.771(2) . ?
Cl08 C02A 1.768(2) . ?
Cl09 C02A 1.765(2) . ?
Cl0A C02J 1.738(5) . ?
Cl0B C02J 1.683(4) . ?
Cl0C C02B 1.755(2) . ?
O00D H00D 0.8400 . ?
O00D C00N 1.429(2) . ?
O00E C01D 1.190(3) . ?
O00F C01D 1.318(2) . ?
O00F C01R 1.467(3) . ?
O00G C013 1.370(3) . ?
O00G C028 1.433(3) . ?
N00H N00I 1.368(2) . ?
N00H C016 1.417(2) . ?
N00I C00U 1.376(3) . ?
N00I C01D 1.444(3) . ?
C00J H00J 0.9500 . ?
C00J C00O 1.354(3) . ?
C00K H00K 0.9500 . ?
C00K C013 1.390(3) . ?
C00K C01N 1.381(3) . ?
C00L C00M 1.400(3) . ?
C00L C019 1.395(3) . ?
C00M H00M 0.9500 . ?
C00M C020 1.382(3) . ?
C00N H00N 1.0000 . ?
C00N C00O 1.516(3) . ?
C00N C00P 1.519(3) . ?
C00P C00U 1.377(3) . ?
C00Q H00Q 0.9500 . ?
C00Q C01A 1.391(3) . ?
C00Q C01H 1.393(3) . ?
C00R H00R 0.9500 . ?
C00R C00Z 1.390(3) . ?
C00R C018 1.394(3) . ?
C00S C01C 1.389(3) . ?
C00S C01V 1.394(3) . ?
C00T H00T 0.9500 . ?
C00T C00Y 1.389(3) . ?
C00T C012 1.393(3) . ?
C00U H00U 0.9500 . ?
C00V C012 1.399(3) . ?
C00V C01P 1.392(3) . ?
C00W H00W 0.9500 . ?
C00W C01B 1.388(3) . ?
C00W C01E 1.400(3) . ?
C00X C01L 1.398(3) . ?
C00X C01O 1.393(3) . ?
C00Y H00Y 0.9500 . ?
C00Y C026 1.386(3) . ?
C00Z H00Z 0.9500 . ?
C00Z C011 1.384(3) . ?
C010 H010 0.9500 . ?
C010 C011 1.392(3) . ?
C010 C015 1.386(3) . ?
C011 H011 0.9500 . ?
C012 H012 0.9500 . ?
C013 C01I 1.393(3) . ?
C014 C01M 1.397(3) . ?
C014 C023 1.394(3) . ?
C015 H015 0.9500 . ?
C015 C018 1.400(3) . ?
C016 C01F 1.402(3) . ?
C016 C01N 1.392(3) . ?
C017 H017 0.9500 . ?
C017 C01B 1.386(3) . ?
C017 C021 1.383(4) . ?
C019 H019 0.9500 . ?
C019 C01G 1.392(3) . ?
C01A C024 1.405(3) . ?
C01B H01B 0.9500 . ?
C01C H01C 0.9500 . ?
C01C C02G 1.391(3) . ?
C01E C01S 1.389(3) . ?
C01F H01F 0.9500 . ?
C01F C01I 1.378(3) . ?
C01G H01G 0.9500 . ?
C01G C01X 1.383(3) . ?
C01H H01H 0.9500 . ?
C01H C02E 1.384(4) . ?
C01I H01I 0.9500 . ?
C01J C01T 1.387(3) . ?
C01J C01Z 1.386(3) . ?
C01K H01K 0.9500 . ?
C01K C01W 1.382(3) . ?
C01K C025 1.378(3) . ?
C01L H01L 0.9500 . ?
C01L C01Q 1.389(3) . ?
C01M H01M 0.9500 . ?
C01M C02C 1.387(3) . ?
C01N H01N 0.9500 . ?
C01O H01O 0.9500 . ?
C01O C01Y 1.390(3) . ?
C01P H01P 0.9500 . ?
C01P C026 1.394(3) . ?
C01Q H01Q 0.9500 . ?
C01Q C01U 1.384(3) . ?
C01R H01A 0.9900 . ?
C01R H01D 0.9900 . ?
C01R C02H 1.507(4) . ?
C01S H01S 0.9500 . ?
C01S C021 1.390(3) . ?
C01T H01T 0.9500 . ?
C01T C025 1.389(3) . ?
C01U H01U 0.9500 . ?
C01U C01Y 1.387(3) . ?
C01V H01V 0.9500 . ?
C01V C029 1.388(3) . ?
C01W H01W 0.9500 . ?
C01W C01Z 1.385(3) . ?
C01X H01X 0.9500 . ?
C01X C020 1.392(3) . ?
C01Y H01Y 0.9500 . ?
C01Z H01Z 0.9500 . ?
C020 H020 0.9500 . ?
C021 H021 0.9500 . ?
C022 H022 0.9500 . ?
C022 C027 1.380(4) . ?
C022 C02C 1.382(4) . ?
C023 H023 0.9500 . ?
C023 C027 1.390(3) . ?
C024 H024 0.9500 . ?
C024 C02F 1.385(3) . ?
C025 H025 0.9500 . ?
C026 H026 0.9500 . ?
C027 H027 0.9500 . ?
C028 H02A 0.9800 . ?
C028 H02B 0.9800 . ?
C028 H02C 0.9800 . ?
C029 H029 0.9500 . ?
C029 C02D 1.380(4) . ?
C02A H02P 0.9900 . ?
C02A H02Q 0.9900 . ?
C02B H02N 0.9900 . ?
C02B H02O 0.9900 . ?
C02C H02D 0.9500 . ?
C02D H02E 0.9500 . ?
C02D C02G 1.378(4) . ?
C02E H02F 0.9500 . ?
C02E C02F 1.382(4) . ?
C02F H02G 0.9500 . ?
C02G H02H 0.9500 . ?
C02H H02I 0.9900 . ?
C02H H02J 0.9900 . ?
C02H C02I 1.520(4) . ?
C02I H02K 0.9800 . ?
C02I H02L 0.9800 . ?
C02I H02M 0.9800 . ?
C02J H02R 0.9900 . ?
C02J H02S 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P03 Os01 Cl02 81.823(15) . . ?
P06 Os01 Cl02 88.018(16) . . ?
P06 Os01 P03 167.084(16) . . ?
N00H Os01 Cl02 100.07(4) . . ?
N00H Os01 P03 91.90(5) . . ?
N00H Os01 P06 97.74(5) . . ?
C00J Os01 Cl02 101.77(5) . . ?
C00J Os01 P03 90.80(5) . . ?
C00J Os01 P06 83.46(5) . . ?
C00J Os01 N00H 158.16(7) . . ?
C00P Os01 Cl02 175.17(5) . . ?
C00P Os01 P03 93.37(5) . . ?
C00P Os01 P06 96.82(5) . . ?
C00P Os01 N00H 79.47(7) . . ?
C00P Os01 C00J 78.73(8) . . ?
C00L P03 Os01 113.81(6) . . ?
C00L P03 C00X 100.64(9) . . ?
C00V P03 Os01 114.55(6) . . ?
C00V P03 C00L 103.50(9) . . ?
C00V P03 C00X 101.64(9) . . ?
C00X P03 Os01 120.38(6) . . ?
C00O P004 C014 109.81(9) . . ?
C00O P004 C01E 112.78(9) . . ?
C00O P004 C01J 111.79(9) . . ?
C014 P004 C01E 108.76(9) . . ?
C01J P004 C014 106.35(9) . . ?
C01J P004 C01E 107.09(9) . . ?
C00S P06 Os01 121.08(7) . . ?
C018 P06 Os01 108.95(6) . . ?
C018 P06 C00S 104.00(9) . . ?
C018 P06 C01A 104.09(9) . . ?
C01A P06 Os01 118.23(7) . . ?
C01A P06 C00S 98.41(9) . . ?
C00N O00D H00D 109.5 . . ?
C01D O00F C01R 116.03(16) . . ?
C013 O00G C028 116.35(17) . . ?
N00I N00H Os01 111.01(11) . . ?
N00I N00H C016 113.59(15) . . ?
C016 N00H Os01 130.61(13) . . ?
N00H N00I C00U 117.36(16) . . ?
N00H N00I C01D 122.30(15) . . ?
C00U N00I C01D 118.27(16) . . ?
Os01 C00J H00J 121.6 . . ?
C00O C00J Os01 116.73(14) . . ?
C00O C00J H00J 121.6 . . ?
C013 C00K H00K 120.1 . . ?
C01N C00K H00K 120.1 . . ?
C01N C00K C013 119.85(19) . . ?
C00M C00L P03 119.00(15) . . ?
C019 C00L P03 122.15(16) . . ?
C019 C00L C00M 118.85(18) . . ?
C00L C00M H00M 119.7 . . ?
C020 C00M C00L 120.52(19) . . ?
C020 C00M H00M 119.7 . . ?
O00D C00N H00N 109.0 . . ?
O00D C00N C00O 109.92(15) . . ?
O00D C00N C00P 114.69(15) . . ?
C00O C00N H00N 109.0 . . ?
C00O C00N C00P 104.98(15) . . ?
C00P C00N H00N 109.0 . . ?
C00J C00O P004 123.26(15) . . ?
C00J C00O C00N 117.54(16) . . ?
C00N C00O P004 119.14(14) . . ?
C00N C00P Os01 120.85(14) . . ?
C00U C00P Os01 115.99(14) . . ?
C00U C00P C00N 123.15(18) . . ?
C01A C00Q H00Q 120.0 . . ?
C01A C00Q C01H 120.1(2) . . ?
C01H C00Q H00Q 120.0 . . ?
C00Z C00R H00R 119.8 . . ?
C00Z C00R C018 120.43(19) . . ?
C018 C00R H00R 119.8 . . ?
C01C C00S P06 124.12(16) . . ?
C01C C00S C01V 118.83(19) . . ?
C01V C00S P06 116.81(16) . . ?
C00Y C00T H00T 119.9 . . ?
C00Y C00T C012 120.19(19) . . ?
C012 C00T H00T 119.9 . . ?
N00I C00U C00P 114.48(17) . . ?
N00I C00U H00U 122.8 . . ?
C00P C00U H00U 122.8 . . ?
C012 C00V P03 118.62(15) . . ?
C01P C00V P03 122.33(15) . . ?
C01P C00V C012 119.01(18) . . ?
C01B C00W H00W 120.1 . . ?
C01B C00W C01E 119.80(19) . . ?
C01E C00W H00W 120.1 . . ?
C01L C00X P03 121.65(15) . . ?
C01O C00X P03 119.26(15) . . ?
C01O C00X C01L 118.59(19) . . ?
C00T C00Y H00Y 120.2 . . ?
C026 C00Y C00T 119.59(19) . . ?
C026 C00Y H00Y 120.2 . . ?
C00R C00Z H00Z 119.9 . . ?
C011 C00Z C00R 120.29(19) . . ?
C011 C00Z H00Z 119.9 . . ?
C011 C010 H010 120.0 . . ?
C015 C010 H010 120.0 . . ?
C015 C010 C011 120.0(2) . . ?
C00Z C011 C010 119.85(19) . . ?
C00Z C011 H011 120.1 . . ?
C010 C011 H011 120.1 . . ?
C00T C012 C00V 120.40(19) . . ?
C00T C012 H012 119.8 . . ?
C00V C012 H012 119.8 . . ?
O00G C013 C00K 123.78(19) . . ?
O00G C013 C01I 116.27(18) . . ?
C00K C013 C01I 119.92(19) . . ?
C01M C014 P004 120.20(16) . . ?
C023 C014 P004 120.13(17) . . ?
C023 C014 C01M 119.7(2) . . ?
C010 C015 H015 119.7 . . ?
C010 C015 C018 120.59(19) . . ?
C018 C015 H015 119.7 . . ?
C01F C016 N00H 122.84(17) . . ?
C01N C016 N00H 117.80(17) . . ?
C01N C016 C01F 119.17(18) . . ?
C01B C017 H017 120.2 . . ?
C021 C017 H017 120.2 . . ?
C021 C017 C01B 119.6(2) . . ?
C00R C018 P06 121.92(15) . . ?
C00R C018 C015 118.83(18) . . ?
C015 C018 P06 118.77(15) . . ?
C00L C019 H019 119.9 . . ?
C01G C019 C00L 120.3(2) . . ?
C01G C019 H019 119.9 . . ?
C00Q C01A P06 122.18(16) . . ?
C00Q C01A C024 118.8(2) . . ?
C024 C01A P06 118.91(16) . . ?
C00W C01B H01B 119.7 . . ?
C017 C01B C00W 120.5(2) . . ?
C017 C01B H01B 119.7 . . ?
C00S C01C H01C 119.8 . . ?
C00S C01C C02G 120.4(2) . . ?
C02G C01C H01C 119.8 . . ?
O00E C01D O00F 128.29(19) . . ?
O00E C01D N00I 121.84(18) . . ?
O00F C01D N00I 109.72(16) . . ?
C00W C01E P004 119.56(15) . . ?
C01S C01E P004 120.91(16) . . ?
C01S C01E C00W 119.53(18) . . ?
C016 C01F H01F 119.9 . . ?
C01I C01F C016 120.18(19) . . ?
C01I C01F H01F 119.9 . . ?
C019 C01G H01G 119.8 . . ?
C01X C01G C019 120.5(2) . . ?
C01X C01G H01G 119.8 . . ?
C00Q C01H H01H 119.7 . . ?
C02E C01H C00Q 120.6(2) . . ?
C02E C01H H01H 119.7 . . ?
C013 C01I H01I 119.9 . . ?
C01F C01I C013 120.17(19) . . ?
C01F C01I H01I 119.9 . . ?
C01T C01J P004 119.11(16) . . ?
C01Z C01J P004 120.77(16) . . ?
C01Z C01J C01T 119.93(19) . . ?
C01W C01K H01K 120.2 . . ?
C025 C01K H01K 120.2 . . ?
C025 C01K C01W 119.7(2) . . ?
C00X C01L H01L 119.7 . . ?
C01Q C01L C00X 120.6(2) . . ?
C01Q C01L H01L 119.7 . . ?
C014 C01M H01M 120.1 . . ?
C02C C01M C014 119.8(2) . . ?
C02C C01M H01M 120.1 . . ?
C00K C01N C016 120.67(18) . . ?
C00K C01N H01N 119.7 . . ?
C016 C01N H01N 119.7 . . ?
C00X C01O H01O 119.7 . . ?
C01Y C01O C00X 120.5(2) . . ?
C01Y C01O H01O 119.7 . . ?
C00V C01P H01P 119.9 . . ?
C00V C01P C026 120.28(19) . . ?
C026 C01P H01P 119.9 . . ?
C01L C01Q H01Q 119.8 . . ?
C01U C01Q C01L 120.4(2) . . ?
C01U C01Q H01Q 119.8 . . ?
O00F C01R H01A 109.5 . . ?
O00F C01R H01D 109.5 . . ?
O00F C01R C02H 110.82(18) . . ?
H01A C01R H01D 108.1 . . ?
C02H C01R H01A 109.5 . . ?
C02H C01R H01D 109.5 . . ?
C01E C01S H01S 120.0 . . ?
C01E C01S C021 120.0(2) . . ?
C021 C01S H01S 120.0 . . ?
C01J C01T H01T 120.2 . . ?
C01J C01T C025 119.6(2) . . ?
C025 C01T H01T 120.2 . . ?
C01Q C01U H01U 120.3 . . ?
C01Q C01U C01Y 119.4(2) . . ?
C01Y C01U H01U 120.3 . . ?
C00S C01V H01V 119.9 . . ?
C029 C01V C00S 120.2(2) . . ?
C029 C01V H01V 119.9 . . ?
C01K C01W H01W 119.8 . . ?
C01K C01W C01Z 120.3(2) . . ?
C01Z C01W H01W 119.8 . . ?
C01G C01X H01X 120.2 . . ?
C01G C01X C020 119.56(19) . . ?
C020 C01X H01X 120.2 . . ?
C01O C01Y H01Y 119.8 . . ?
C01U C01Y C01O 120.5(2) . . ?
C01U C01Y H01Y 119.8 . . ?
C01J C01Z H01Z 120.0 . . ?
C01W C01Z C01J 119.9(2) . . ?
C01W C01Z H01Z 120.0 . . ?
C00M C020 C01X 120.3(2) . . ?
C00M C020 H020 119.8 . . ?
C01X C020 H020 119.8 . . ?
C017 C021 C01S 120.5(2) . . ?
C017 C021 H021 119.7 . . ?
C01S C021 H021 119.7 . . ?
C027 C022 H022 119.8 . . ?
C027 C022 C02C 120.4(2) . . ?
C02C C022 H022 119.8 . . ?
C014 C023 H023 120.1 . . ?
C027 C023 C014 119.8(2) . . ?
C027 C023 H023 120.1 . . ?
C01A C024 H024 119.8 . . ?
C02F C024 C01A 120.4(2) . . ?
C02F C024 H024 119.8 . . ?
C01K C025 C01T 120.6(2) . . ?
C01K C025 H025 119.7 . . ?
C01T C025 H025 119.7 . . ?
C00Y C026 C01P 120.53(19) . . ?
C00Y C026 H026 119.7 . . ?
C01P C026 H026 119.7 . . ?
C022 C027 C023 120.2(2) . . ?
C022 C027 H027 119.9 . . ?
C023 C027 H027 119.9 . . ?
O00G C028 H02A 109.5 . . ?
O00G C028 H02B 109.5 . . ?
O00G C028 H02C 109.5 . . ?
H02A C028 H02B 109.5 . . ?
H02A C028 H02C 109.5 . . ?
H02B C028 H02C 109.5 . . ?
C01V C029 H029 119.7 . . ?
C02D C029 C01V 120.6(2) . . ?
C02D C029 H029 119.7 . . ?
Cl08 C02A H02P 109.4 . . ?
Cl08 C02A H02Q 109.4 . . ?
Cl09 C02A Cl08 111.01(12) . . ?
Cl09 C02A H02P 109.4 . . ?
Cl09 C02A H02Q 109.4 . . ?
H02P C02A H02Q 108.0 . . ?
Cl07 C02B H02N 109.2 . . ?
Cl07 C02B H02O 109.2 . . ?
Cl0C C02B Cl07 111.99(13) . . ?
Cl0C C02B H02N 109.2 . . ?
Cl0C C02B H02O 109.2 . . ?
H02N C02B H02O 107.9 . . ?
C01M C02C H02D 119.9 . . ?
C022 C02C C01M 120.1(2) . . ?
C022 C02C H02D 119.9 . . ?
C029 C02D H02E 120.2 . . ?
C02G C02D C029 119.6(2) . . ?
C02G C02D H02E 120.2 . . ?
C01H C02E H02F 120.1 . . ?
C02F C02E C01H 119.7(2) . . ?
C02F C02E H02F 120.1 . . ?
C024 C02F H02G 119.9 . . ?
C02E C02F C024 120.3(2) . . ?
C02E C02F H02G 119.9 . . ?
C01C C02G H02H 119.8 . . ?
C02D C02G C01C 120.4(2) . . ?
C02D C02G H02H 119.8 . . ?
C01R C02H H02I 109.4 . . ?
C01R C02H H02J 109.4 . . ?
C01R C02H C02I 111.2(2) . . ?
H02I C02H H02J 108.0 . . ?
C02I C02H H02I 109.4 . . ?
C02I C02H H02J 109.4 . . ?
C02H C02I H02K 109.5 . . ?
C02H C02I H02L 109.5 . . ?
C02H C02I H02M 109.5 . . ?
H02K C02I H02L 109.5 . . ?
H02K C02I H02M 109.5 . . ?
H02L C02I H02M 109.5 . . ?
Cl0A C02J H02R 108.0 . . ?
Cl0A C02J H02S 108.0 . . ?
Cl0B C02J Cl0A 117.0(3) . . ?
Cl0B C02J H02R 108.0 . . ?
Cl0B C02J H02S 108.0 . . ?
H02R C02J H02S 107.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Os01 P03 C00L C00M -35.67(16) . . . . ?
Os01 P03 C00L C019 144.44(14) . . . . ?
Os01 P03 C00V C012 -57.04(17) . . . . ?
Os01 P03 C00V C01P 125.37(15) . . . . ?
Os01 P03 C00X C01L 136.81(14) . . . . ?
Os01 P03 C00X C01O -51.47(18) . . . . ?
Os01 P06 C00S C01C 121.46(17) . . . . ?
Os01 P06 C00S C01V -64.15(19) . . . . ?
Os01 P06 C018 C00R 104.01(15) . . . . ?
Os01 P06 C018 C015 -67.94(16) . . . . ?
Os01 P06 C01A C00Q 13.27(19) . . . . ?
Os01 P06 C01A C024 -169.76(14) . . . . ?
Os01 N00H N00I C00U 8.5(2) . . . . ?
Os01 N00H N00I C01D -154.81(14) . . . . ?
Os01 N00H C016 C01F -119.65(19) . . . . ?
Os01 N00H C016 C01N 55.2(2) . . . . ?
Os01 C00J C00O P004 175.51(9) . . . . ?
Os01 C00J C00O C00N -1.5(2) . . . . ?
Os01 C00P C00U N00I -10.4(2) . . . . ?
P03 C00L C00M C020 179.02(15) . . . . ?
P03 C00L C019 C01G -178.62(15) . . . . ?
P03 C00V C012 C00T -178.27(16) . . . . ?
P03 C00V C01P C026 178.32(15) . . . . ?
P03 C00X C01L C01Q 171.29(16) . . . . ?
P03 C00X C01O C01Y -171.47(16) . . . . ?
P004 C014 C01M C02C 178.14(17) . . . . ?
P004 C014 C023 C027 -179.38(17) . . . . ?
P004 C01E C01S C021 -179.92(18) . . . . ?
P004 C01J C01T C025 174.63(19) . . . . ?
P004 C01J C01Z C01W -174.78(18) . . . . ?
P06 C00S C01C C02G 175.12(19) . . . . ?
P06 C00S C01V C029 -174.6(2) . . . . ?
P06 C01A C024 C02F -179.55(17) . . . . ?
O00D C00N C00O P004 -45.23(19) . . . . ?
O00D C00N C00O C00J 131.88(17) . . . . ?
O00D C00N C00P Os01 -132.98(14) . . . . ?
O00D C00N C00P C00U 46.5(2) . . . . ?
O00F C01R C02H C02I -178.5(3) . . . . ?
O00G C013 C01I C01F -176.3(2) . . . . ?
N00H N00I C00U C00P 0.7(2) . . . . ?
N00H N00I C01D O00E -155.55(19) . . . . ?
N00H N00I C01D O00F 28.7(2) . . . . ?
N00H C016 C01F C01I 173.49(19) . . . . ?
N00H C016 C01N C00K -174.08(19) . . . . ?
N00I N00H C016 C01F 33.2(3) . . . . ?
N00I N00H C016 C01N -151.93(17) . . . . ?
C00K C013 C01I C01F 1.8(3) . . . . ?
C00L P03 C00V C012 178.48(16) . . . . ?
C00L P03 C00V C01P 0.89(19) . . . . ?
C00L P03 C00X C01L -97.30(17) . . . . ?
C00L P03 C00X C01O 74.42(17) . . . . ?
C00L C00M C020 C01X -0.1(3) . . . . ?
C00L C019 C01G C01X -0.8(3) . . . . ?
C00M C00L C019 C01G 1.5(3) . . . . ?
C00N C00P C00U N00I 170.04(16) . . . . ?
C00O P004 C014 C01M 61.85(19) . . . . ?
C00O P004 C014 C023 -118.72(17) . . . . ?
C00O P004 C01E C00W 57.93(18) . . . . ?
C00O P004 C01E C01S -122.89(18) . . . . ?
C00O P004 C01J C01T 34.5(2) . . . . ?
C00O P004 C01J C01Z -150.48(17) . . . . ?
C00O C00N C00P Os01 -12.24(19) . . . . ?
C00O C00N C00P C00U 167.26(17) . . . . ?
C00P C00N C00O P004 -169.07(12) . . . . ?
C00P C00N C00O C00J 8.0(2) . . . . ?
C00Q C01A C024 C02F -2.5(3) . . . . ?
C00Q C01H C02E C02F -2.1(4) . . . . ?
C00R C00Z C011 C010 0.0(3) . . . . ?
C00S P06 C018 C00R -125.58(16) . . . . ?
C00S P06 C018 C015 62.47(17) . . . . ?
C00S P06 C01A C00Q -118.93(18) . . . . ?
C00S P06 C01A C024 58.03(18) . . . . ?
C00S C01C C02G C02D -1.1(4) . . . . ?
C00S C01V C029 C02D -0.8(4) . . . . ?
C00T C00Y C026 C01P -0.6(3) . . . . ?
C00U N00I C01D O00E 41.3(3) . . . . ?
C00U N00I C01D O00F -134.50(18) . . . . ?
C00V P03 C00L C00M 89.29(16) . . . . ?
C00V P03 C00L C019 -90.61(17) . . . . ?
C00V P03 C00X C01L 9.04(18) . . . . ?
C00V P03 C00X C01O -179.24(16) . . . . ?
C00V C01P C026 C00Y -0.1(3) . . . . ?
C00W C01E C01S C021 -0.7(3) . . . . ?
C00X P03 C00L C00M -165.86(15) . . . . ?
C00X P03 C00L C019 14.25(18) . . . . ?
C00X P03 C00V C012 74.39(17) . . . . ?
C00X P03 C00V C01P -103.20(17) . . . . ?
C00X C01L C01Q C01U -0.1(3) . . . . ?
C00X C01O C01Y C01U 0.0(3) . . . . ?
C00Y C00T C012 C00V -0.1(3) . . . . ?
C00Z C00R C018 P06 -172.53(15) . . . . ?
C00Z C00R C018 C015 -0.6(3) . . . . ?
C010 C015 C018 P06 173.22(15) . . . . ?
C010 C015 C018 C00R 1.0(3) . . . . ?
C011 C010 C015 C018 -1.0(3) . . . . ?
C012 C00T C00Y C026 0.8(3) . . . . ?
C012 C00V C01P C026 0.7(3) . . . . ?
C013 C00K C01N C016 0.7(3) . . . . ?
C014 P004 C00O C00J 11.96(19) . . . . ?
C014 P004 C00O C00N -171.11(14) . . . . ?
C014 P004 C01E C00W 179.99(15) . . . . ?
C014 P004 C01E C01S -0.8(2) . . . . ?
C014 P004 C01J C01T -85.36(19) . . . . ?
C014 P004 C01J C01Z 89.67(19) . . . . ?
C014 C01M C02C C022 1.5(4) . . . . ?
C014 C023 C027 C022 1.0(3) . . . . ?
C015 C010 C011 C00Z 0.5(3) . . . . ?
C016 N00H N00I C00U -149.71(16) . . . . ?
C016 N00H N00I C01D 47.0(2) . . . . ?
C016 C01F C01I C013 -0.1(3) . . . . ?
C018 P06 C00S C01C -1.3(2) . . . . ?
C018 P06 C00S C01V 173.09(17) . . . . ?
C018 P06 C01A C00Q 134.26(17) . . . . ?
C018 P06 C01A C024 -48.78(18) . . . . ?
C018 C00R C00Z C011 0.1(3) . . . . ?
C019 C00L C00M C020 -1.1(3) . . . . ?
C019 C01G C01X C020 -0.4(3) . . . . ?
C01A P06 C00S C01C -108.2(2) . . . . ?
C01A P06 C00S C01V 66.21(18) . . . . ?
C01A P06 C018 C00R -22.99(18) . . . . ?
C01A P06 C018 C015 165.06(15) . . . . ?
C01A C00Q C01H C02E 1.3(3) . . . . ?
C01A C024 C02F C02E 1.7(3) . . . . ?
C01B C00W C01E P004 -179.71(15) . . . . ?
C01B C00W C01E C01S 1.1(3) . . . . ?
C01B C017 C021 C01S 0.6(4) . . . . ?
C01C C00S C01V C029 0.1(3) . . . . ?
C01D O00F C01R C02H -74.7(3) . . . . ?
C01D N00I C00U C00P 164.67(16) . . . . ?
C01E P004 C00O C00J 133.43(16) . . . . ?
C01E P004 C00O C00N -49.64(17) . . . . ?
C01E P004 C014 C01M -61.99(19) . . . . ?
C01E P004 C014 C023 117.43(17) . . . . ?
C01E P004 C01J C01T 158.48(17) . . . . ?
C01E P004 C01J C01Z -26.5(2) . . . . ?
C01E C00W C01B C017 -0.6(3) . . . . ?
C01E C01S C021 C017 -0.1(4) . . . . ?
C01F C016 C01N C00K 1.0(3) . . . . ?
C01G C01X C020 C00M 0.8(3) . . . . ?
C01H C00Q C01A P06 177.99(16) . . . . ?
C01H C00Q C01A C024 1.0(3) . . . . ?
C01H C02E C02F C024 0.6(4) . . . . ?
C01J P004 C00O C00J -105.83(17) . . . . ?
C01J P004 C00O C00N 71.10(16) . . . . ?
C01J P004 C014 C01M -177.02(17) . . . . ?
C01J P004 C014 C023 2.40(19) . . . . ?
C01J P004 C01E C00W -65.46(17) . . . . ?
C01J P004 C01E C01S 113.71(18) . . . . ?
C01J C01T C025 C01K 0.1(4) . . . . ?
C01K C01W C01Z C01J 0.4(4) . . . . ?
C01L C00X C01O C01Y 0.5(3) . . . . ?
C01L C01Q C01U C01Y 0.6(3) . . . . ?
C01M C014 C023 C027 0.0(3) . . . . ?
C01N C00K C013 O00G 175.8(2) . . . . ?
C01N C00K C013 C01I -2.2(3) . . . . ?
C01N C016 C01F C01I -1.3(3) . . . . ?
C01O C00X C01L C01Q -0.5(3) . . . . ?
C01P C00V C012 C00T -0.6(3) . . . . ?
C01Q C01U C01Y C01O -0.6(3) . . . . ?
C01R O00F C01D O00E -3.7(3) . . . . ?
C01R O00F C01D N00I 171.77(16) . . . . ?
C01T C01J C01Z C01W 0.2(3) . . . . ?
C01V C00S C01C C02G 0.8(3) . . . . ?
C01V C029 C02D C02G 0.6(4) . . . . ?
C01W C01K C025 C01T 0.5(4) . . . . ?
C01Z C01J C01T C025 -0.4(3) . . . . ?
C021 C017 C01B C00W -0.2(3) . . . . ?
C023 C014 C01M C02C -1.3(3) . . . . ?
C025 C01K C01W C01Z -0.7(4) . . . . ?
C027 C022 C02C C01M -0.5(4) . . . . ?
C028 O00G C013 C00K -3.5(3) . . . . ?
C028 O00G C013 C01I 174.5(2) . . . . ?
C029 C02D C02G C01C 0.4(4) . . . . ?
C02C C022 C027 C023 -0.8(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_czw_20221104_0m
_database_code_depnum_ccdc_archive 'CCDC 2233817'
loop_
_audit_author_name
_audit_author_address
'Zhenwei Chu'
;department of chemistry, Southern University of Science and Technology
China
;
_audit_update_record             
;
2023-01-02 deposited with the CCDC.	2023-03-14 downloaded from the CCDC.
;
_audit_creation_date             2022-11-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C67 H55 N2 O2 Os P3, 2(F6 Sb)'
_chemical_formula_sum            'C67 H55 F12 N2 O2 Os P3 Sb2'
_chemical_formula_weight         1674.74
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.9962(3)
_cell_length_b                   20.0596(5)
_cell_length_c                   26.3587(6)
_cell_angle_alpha                90
_cell_angle_beta                 98.0180(10)
_cell_angle_gamma                90
_cell_volume                     6280.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9961
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      72.42
_cell_measurement_theta_min      3.39
_shelx_estimated_absorpt_T_max   0.646
_shelx_estimated_absorpt_T_min   0.534
_exptl_absorpt_coefficient_mu    11.949
_exptl_absorpt_correction_T_max  0.1715
_exptl_absorpt_correction_T_min  0.0628
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0971 before and 0.0594 after correction.
The Ratio of minimum to maximum transmission is 0.3662.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.771
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3272
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            62215
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.598
_diffrn_reflns_theta_min         2.778
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Bruker PHOTON II area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CMOS area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.11
_diffrn_source_power             0.05550000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10621
_reflns_number_total             12297
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2014'
_refine_diff_density_max         3.054
_refine_diff_density_min         -1.600
_refine_diff_density_rms         0.136
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     803
_refine_ls_number_reflns         12297
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0443
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0571P)²+14.6578P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1065
_refine_ls_wR_factor_ref         0.1113
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00N(H00N), C00P(H00P), C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X),
 C00Y(H00Y), C010(H010), C013(H013), C014(H014), C015(H015), C016(H016),
 C018(H018), C01A(H01A), C01B(H01B), C01C(H01C), C01D(H01D), C01E(H01E),
 C01G(H01G), C01H(H01H), C01I(H01I), C01J(H01J), C01K(H01K), C01L(H01L),
 C01M(H01M), C01N(H01N), C01P(H01P), C01Q(H01Q), C01R(H01R), C01S(H01S),
 C01T(H01T), C01U(H01U), C01V(H01V), C01X(H01X), C01Y(H01Y), C01Z(H01Z),
 C020(H020), C021(H021), C022(H022), C023(H023), C024(H024), C025(H025),
 C026(H026), C027(H027), C028(H028), C029(H029), C02B(H02B), C02C(H02C),
 C02D(H02D), C02E(H02E), C02F(H02F), C02G(H02G)
2.b Idealised Me refined as rotating group:
 C02H(H02A,H02H,H02I)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os01 Os 0.54617(2) 0.43593(2) 0.29083(2) 0.02844(7) Uani 1 1 d . . . . .
Sb02 Sb 0.45976(3) 0.14017(2) 0.42901(2) 0.03584(9) Uani 1 1 d . . . . .
Sb03 Sb 0.54439(5) 0.20089(2) 0.09244(2) 0.06339(15) Uani 1 1 d . . . . .
P004 P 0.54987(11) 0.50195(6) 0.12156(5) 0.0294(3) Uani 1 1 d . . . . .
P005 P 0.75011(11) 0.43176(6) 0.30202(5) 0.0309(3) Uani 1 1 d . . . . .
P006 P 0.34200(11) 0.44324(6) 0.28350(5) 0.0316(3) Uani 1 1 d . . . . .
F007 F 0.4893(3) 0.07291(17) 0.47839(12) 0.0443(7) Uani 1 1 d . . . . .
F008 F 0.6086(3) 0.1347(2) 0.41554(15) 0.0540(9) Uani 1 1 d . . . . .
F009 F 0.4160(3) 0.07432(19) 0.37931(13) 0.0525(9) Uani 1 1 d . . . . .
F00A F 0.5022(4) 0.20323(19) 0.48054(15) 0.0580(9) Uani 1 1 d . . . . .
F00B F 0.3101(3) 0.1453(2) 0.44146(15) 0.0553(9) Uani 1 1 d . . . . .
F00C F 0.4313(3) 0.2070(2) 0.37937(15) 0.0588(10) Uani 1 1 d . . . . .
F00D F 0.6898(4) 0.1806(2) 0.12432(16) 0.0736(12) Uani 1 1 d . . . . .
O00E O 0.5443(4) 0.2839(2) 0.30556(16) 0.0455(9) Uani 1 1 d . . . . .
N00F N 0.5605(4) 0.4845(2) 0.36315(16) 0.0357(10) Uani 1 1 d . . . . .
F00G F 0.5703(5) 0.1510(2) 0.03514(17) 0.0826(14) Uani 1 1 d . . . . .
F00H F 0.3963(5) 0.2203(2) 0.0622(2) 0.0915(17) Uani 1 1 d . . . . .
F00I F 0.4918(4) 0.1250(2) 0.1215(2) 0.0826(14) Uani 1 1 d . . . . .
N00J N 0.5773(4) 0.5498(2) 0.36333(17) 0.0406(11) Uani 1 1 d . . . . .
F00K F 0.5983(5) 0.2759(2) 0.06126(19) 0.0892(16) Uani 1 1 d . . . . .
O00L O 0.5763(4) 0.3833(2) 0.56060(15) 0.0563(12) Uani 1 1 d . . . . .
C00M C 0.4274(4) 0.4594(3) 0.09044(18) 0.0310(10) Uani 1 1 d . . . . .
C00N C 0.5581(4) 0.5522(3) 0.22222(19) 0.0328(11) Uani 1 1 d . . . . .
H00N H 0.563359 0.596714 0.210510 0.039 Uiso 1 1 calc R U . . .
C00O C 0.5486(4) 0.5887(2) 0.10367(19) 0.0318(10) Uani 1 1 d . . . . .
C00P C 0.5424(4) 0.4339(2) 0.21528(19) 0.0291(10) Uani 1 1 d . . . . .
H00P H 0.536127 0.393267 0.196622 0.035 Uiso 1 1 calc R U . . .
C00Q C 0.5580(4) 0.5345(2) 0.27422(19) 0.0306(10) Uani 1 1 d . . . . .
C00R C 0.5496(4) 0.4968(3) 0.19040(18) 0.0298(10) Uani 1 1 d . . . . .
C00S C 0.8189(4) 0.4971(3) 0.26878(19) 0.0330(10) Uani 1 1 d . . . . .
F00T F 0.5271(5) 0.2539(3) 0.1490(2) 0.0982(18) Uani 1 1 d . . . . .
C00U C 0.8218(5) 0.2586(3) 0.2286(2) 0.0402(12) Uani 1 1 d . . . . .
H00U H 0.785221 0.228670 0.203763 0.048 Uiso 1 1 calc R U . . .
C00V C 0.7636(4) 0.3123(3) 0.2451(2) 0.0337(11) Uani 1 1 d . . . . .
H00V H 0.687095 0.319275 0.231273 0.040 Uiso 1 1 calc R U . . .
C00W C 0.6396(5) 0.6280(3) 0.1235(2) 0.0370(11) Uani 1 1 d . . . . .
H00W H 0.701638 0.609057 0.144968 0.044 Uiso 1 1 calc R U . . .
C00X C 0.3199(4) 0.4815(3) 0.0988(2) 0.0348(11) Uani 1 1 d . . . . .
H00X H 0.312780 0.518088 0.120985 0.042 Uiso 1 1 calc R U . . .
C00Y C 0.4578(5) 0.6158(3) 0.0714(2) 0.0371(11) Uani 1 1 d . . . . .
H00Y H 0.396536 0.588353 0.057503 0.044 Uiso 1 1 calc R U . . .
C00Z C 0.8166(4) 0.3561(3) 0.28193(19) 0.0331(11) Uani 1 1 d . . . . .
C010 C 0.8772(5) 0.6106(3) 0.2577(2) 0.0395(12) Uani 1 1 d . . . . .
H010 H 0.883992 0.655250 0.269735 0.047 Uiso 1 1 calc R U . . .
C011 C 0.2744(4) 0.4109(3) 0.3373(2) 0.0372(12) Uani 1 1 d . . . . .
C012 C 0.2638(5) 0.3973(3) 0.2301(2) 0.0355(11) Uani 1 1 d . . . . .
C013 C 0.8247(5) 0.5633(3) 0.2848(2) 0.0396(12) Uani 1 1 d . . . . .
H013 H 0.792676 0.576185 0.314362 0.048 Uiso 1 1 calc R U . . .
C014 C 0.5246(5) 0.3946(3) 0.4200(2) 0.0396(12) Uani 1 1 d . . . . .
H014 H 0.494241 0.369400 0.390727 0.048 Uiso 1 1 calc R U . . .
C015 C 0.4371(5) 0.4066(3) 0.0570(2) 0.0368(11) Uani 1 1 d . . . . .
H015 H 0.509430 0.392396 0.050604 0.044 Uiso 1 1 calc R U . . .
C016 C 0.7825(5) 0.3774(3) 0.3983(2) 0.0391(12) Uani 1 1 d . . . . .
H016 H 0.742200 0.341053 0.381444 0.047 Uiso 1 1 calc R U . . .
C017 C 0.2978(4) 0.5300(3) 0.2752(2) 0.0347(11) Uani 1 1 d . . . . .
C018 C 0.5745(5) 0.5762(3) 0.3166(2) 0.0358(11) Uani 1 1 d . . . . .
H018 H 0.583594 0.622836 0.312474 0.043 Uiso 1 1 calc R U . . .
C019 C 0.5429(4) 0.3402(3) 0.30182(19) 0.0334(11) Uani 1 1 d . . . . .
C01A C 0.2607(5) 0.5556(3) 0.2270(2) 0.0401(12) Uani 1 1 d . . . . .
H01A H 0.248769 0.526645 0.198192 0.048 Uiso 1 1 calc R U . . .
C01B C 0.9292(5) 0.3447(3) 0.3022(2) 0.0393(12) Uani 1 1 d . . . . .
H01B H 0.965940 0.373911 0.327558 0.047 Uiso 1 1 calc R U . . .
C01C C 0.3141(5) 0.3497(3) 0.2024(2) 0.0366(11) Uani 1 1 d . . . . .
H01C H 0.392381 0.340872 0.210767 0.044 Uiso 1 1 calc R U . . .
C01D C 0.8613(5) 0.4805(3) 0.2237(2) 0.0379(12) Uani 1 1 d . . . . .
H01D H 0.856107 0.435839 0.211725 0.045 Uiso 1 1 calc R U . . .
C01E C 0.1483(5) 0.4091(3) 0.2184(2) 0.0408(12) Uani 1 1 d . . . . .
H01E H 0.112480 0.440910 0.237323 0.049 Uiso 1 1 calc R U . . .
C01F C 0.6728(4) 0.4626(3) 0.10350(19) 0.0326(10) Uani 1 1 d . . . . .
C01G C 0.2364(5) 0.3966(3) 0.0422(2) 0.0429(13) Uani 1 1 d . . . . .
H01G H 0.171174 0.374418 0.025838 0.052 Uiso 1 1 calc R U . . .
C01H C 0.7022(4) 0.3981(3) 0.1199(2) 0.0345(11) Uani 1 1 d . . . . .
H01H H 0.659402 0.375645 0.142363 0.041 Uiso 1 1 calc R U . . .
C01I C 0.9112(5) 0.5286(3) 0.1961(2) 0.0402(12) Uani 1 1 d . . . . .
H01I H 0.939278 0.516659 0.165415 0.048 Uiso 1 1 calc R U . . .
C01J C 0.3428(5) 0.3753(3) 0.0333(2) 0.0435(13) Uani 1 1 d . . . . .
H01J H 0.349568 0.338966 0.010851 0.052 Uiso 1 1 calc R U . . .
C01K C 0.9197(5) 0.5932(3) 0.2134(2) 0.0418(13) Uani 1 1 d . . . . .
H01K H 0.954755 0.625910 0.194934 0.050 Uiso 1 1 calc R U . . .
C01L C 0.2252(5) 0.4497(3) 0.0746(2) 0.0429(13) Uani 1 1 d . . . . .
H01L H 0.152524 0.464297 0.080107 0.051 Uiso 1 1 calc R U . . .
C01M C 0.5247(6) 0.3679(3) 0.4685(2) 0.0458(14) Uani 1 1 d . . . . .
H01M H 0.491762 0.325578 0.472669 0.055 Uiso 1 1 calc R U . . .
C01N C 0.2411(5) 0.3165(3) 0.3899(2) 0.0479(14) Uani 1 1 d . . . . .
H01N H 0.251459 0.270643 0.398125 0.058 Uiso 1 1 calc R U . . .
C01O C 0.8057(5) 0.4334(3) 0.3702(2) 0.0375(12) Uani 1 1 d . . . . .
C01P C 0.0865(5) 0.3738(3) 0.1789(2) 0.0468(14) Uani 1 1 d . . . . .
H01P H 0.007881 0.381461 0.170815 0.056 Uiso 1 1 calc R U . . .
C01Q C 0.2516(5) 0.3148(3) 0.1629(2) 0.0411(13) Uani 1 1 d . . . . .
H01Q H 0.286588 0.282295 0.144151 0.049 Uiso 1 1 calc R U . . .
C01R C 0.8282(5) 0.4629(3) 0.0545(2) 0.0422(13) Uani 1 1 d . . . . .
H01R H 0.871873 0.484940 0.032127 0.051 Uiso 1 1 calc R U . . .
C01S C 0.8606(5) 0.4869(3) 0.3960(2) 0.0419(13) Uani 1 1 d . . . . .
H01S H 0.876719 0.525666 0.377720 0.050 Uiso 1 1 calc R U . . .
C01T C 0.1764(5) 0.3563(4) 0.4177(2) 0.0520(16) Uani 1 1 d . . . . .
H01T H 0.145490 0.338077 0.445941 0.062 Uiso 1 1 calc R U . . .
C01U C 0.2407(6) 0.6238(3) 0.2205(3) 0.0539(16) Uani 1 1 d . . . . .
H01U H 0.215625 0.640922 0.187264 0.065 Uiso 1 1 calc R U . . .
C01V C 0.7362(5) 0.4950(3) 0.0704(2) 0.0381(12) Uani 1 1 d . . . . .
H01V H 0.716688 0.538907 0.058855 0.046 Uiso 1 1 calc R U . . .
C01W C 0.5737(6) 0.4040(3) 0.5113(2) 0.0453(14) Uani 1 1 d . . . . .
C01X C 0.3162(5) 0.5738(3) 0.3171(2) 0.0412(12) Uani 1 1 d . . . . .
H01X H 0.344355 0.557369 0.350202 0.049 Uiso 1 1 calc R U . . .
C01Y C 0.8560(5) 0.3989(3) 0.0711(2) 0.0396(12) Uani 1 1 d . . . . .
H01Y H 0.918518 0.376943 0.059996 0.048 Uiso 1 1 calc R U . . .
C01Z C 0.6186(5) 0.4942(3) 0.4571(2) 0.0436(13) Uani 1 1 d . . . . .
H01Z H 0.649486 0.537159 0.452988 0.052 Uiso 1 1 calc R U . . .
C020 C 0.9872(5) 0.2916(3) 0.2856(2) 0.0431(13) Uani 1 1 d . . . . .
H020 H 1.063605 0.284304 0.299567 0.052 Uiso 1 1 calc R U . . .
C021 C 0.4580(5) 0.6831(3) 0.0599(2) 0.0452(14) Uani 1 1 d . . . . .
H021 H 0.396516 0.702092 0.038050 0.054 Uiso 1 1 calc R U . . .
C022 C 0.1384(5) 0.3277(3) 0.1511(2) 0.0457(14) Uani 1 1 d . . . . .
H022 H 0.095371 0.304595 0.123530 0.055 Uiso 1 1 calc R U . . .
C023 C 0.8175(5) 0.3741(3) 0.4506(2) 0.0424(13) Uani 1 1 d . . . . .
H023 H 0.805036 0.334677 0.469044 0.051 Uiso 1 1 calc R U . . .
C024 C 0.7936(5) 0.3668(3) 0.1037(2) 0.0381(12) Uani 1 1 d . . . . .
H024 H 0.813290 0.322889 0.115056 0.046 Uiso 1 1 calc R U . . .
C025 C 0.8703(5) 0.4280(4) 0.4758(2) 0.0490(15) Uani 1 1 d . . . . .
H025 H 0.891687 0.426697 0.511916 0.059 Uiso 1 1 calc R U . . .
C026 C 0.9346(5) 0.2489(3) 0.2488(2) 0.0415(13) Uani 1 1 d . . . . .
H026 H 0.975253 0.212680 0.237079 0.050 Uiso 1 1 calc R U . . .
C027 C 0.6388(5) 0.6953(3) 0.1114(2) 0.0429(13) Uani 1 1 d . . . . .
H027 H 0.700876 0.722608 0.124529 0.051 Uiso 1 1 calc R U . . .
C028 C 0.6224(5) 0.4670(3) 0.5050(2) 0.0456(14) Uani 1 1 d . . . . .
H028 H 0.657867 0.490602 0.534117 0.055 Uiso 1 1 calc R U . . .
C029 C 0.8919(5) 0.4837(3) 0.4486(2) 0.0497(15) Uani 1 1 d . . . . .
H029 H 0.928910 0.520662 0.466015 0.060 Uiso 1 1 calc R U . . .
C02A C 0.5685(5) 0.4580(3) 0.4136(2) 0.0387(12) Uani 1 1 d . . . . .
C02B C 0.5478(5) 0.7230(3) 0.0803(3) 0.0488(15) Uani 1 1 d . . . . .
H02B H 0.546842 0.769338 0.072986 0.059 Uiso 1 1 calc R U . . .
C02C C 0.2906(5) 0.3441(3) 0.3499(2) 0.0421(13) Uani 1 1 d . . . . .
H02C H 0.335738 0.317113 0.331293 0.051 Uiso 1 1 calc R U . . .
C02D C 0.1574(6) 0.4216(4) 0.4043(2) 0.0525(16) Uani 1 1 d . . . . .
H02D H 0.111059 0.448089 0.422683 0.063 Uiso 1 1 calc R U . . .
C02E C 0.2932(6) 0.6408(3) 0.3099(3) 0.0553(16) Uani 1 1 d . . . . .
H02E H 0.302531 0.669996 0.338507 0.066 Uiso 1 1 calc R U . . .
C02F C 0.2054(5) 0.4499(3) 0.3639(2) 0.0458(14) Uani 1 1 d . . . . .
H02F H 0.191086 0.495188 0.354634 0.055 Uiso 1 1 calc R U . . .
C02G C 0.2568(6) 0.6661(3) 0.2614(3) 0.0582(17) Uani 1 1 d . . . . .
H02G H 0.243157 0.712510 0.256759 0.070 Uiso 1 1 calc R U . . .
C02H C 0.5087(9) 0.3249(4) 0.5680(3) 0.080(3) Uani 1 1 d . . . . .
H02A H 0.431433 0.332021 0.551266 0.120 Uiso 1 1 calc R U . . .
H02H H 0.508550 0.317467 0.604696 0.120 Uiso 1 1 calc R U . . .
H02I H 0.540685 0.285863 0.552904 0.120 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os01 P005 2.4244(13) . ?
Os01 P006 2.4343(13) . ?
Os01 N00F 2.126(4) . ?
Os01 C00P 1.986(5) . ?
Os01 C00Q 2.034(5) . ?
Os01 C019 1.944(5) . ?
Sb02 F007 1.874(3) . ?
Sb02 F008 1.872(3) . ?
Sb02 F009 1.883(3) . ?
Sb02 F00A 1.874(4) . ?
Sb02 F00B 1.872(3) . ?
Sb02 F00C 1.871(3) . ?
Sb03 F00D 1.872(5) . ?
Sb03 F00G 1.873(5) . ?
Sb03 F00H 1.884(5) . ?
Sb03 F00I 1.853(5) . ?
Sb03 F00K 1.873(5) . ?
Sb03 F00T 1.866(5) . ?
P004 C00M 1.796(5) . ?
P004 C00O 1.802(5) . ?
P004 C00R 1.818(5) . ?
P004 C01F 1.795(5) . ?
P005 C00S 1.835(5) . ?
P005 C00Z 1.828(5) . ?
P005 C01O 1.827(5) . ?
P006 C011 1.846(5) . ?
P006 C012 1.828(5) . ?
P006 C017 1.823(5) . ?
O00E C019 1.133(7) . ?
N00F N00J 1.326(7) . ?
N00F C02A 1.423(7) . ?
N00J C018 1.336(7) . ?
O00L C01W 1.361(7) . ?
O00L C02H 1.452(10) . ?
C00M C00X 1.410(7) . ?
C00M C015 1.392(8) . ?
C00N H00N 0.9500 . ?
C00N C00Q 1.416(7) . ?
C00N C00R 1.387(7) . ?
C00O C00W 1.389(8) . ?
C00O C00Y 1.395(8) . ?
C00P H00P 0.9500 . ?
C00P C00R 1.430(7) . ?
C00Q C018 1.388(7) . ?
C00S C013 1.393(8) . ?
C00S C01D 1.396(7) . ?
C00U H00U 0.9500 . ?
C00U C00V 1.385(8) . ?
C00U C026 1.397(8) . ?
C00V H00V 0.9500 . ?
C00V C00Z 1.395(7) . ?
C00W H00W 0.9500 . ?
C00W C027 1.387(8) . ?
C00X H00X 0.9500 . ?
C00X C01L 1.379(8) . ?
C00Y H00Y 0.9500 . ?
C00Y C021 1.384(8) . ?
C00Z C01B 1.400(8) . ?
C010 H010 0.9500 . ?
C010 C013 1.391(8) . ?
C010 C01K 1.382(8) . ?
C011 C02C 1.388(8) . ?
C011 C02F 1.397(8) . ?
C012 C01C 1.390(8) . ?
C012 C01E 1.397(8) . ?
C013 H013 0.9500 . ?
C014 H014 0.9500 . ?
C014 C01M 1.386(8) . ?
C014 C02A 1.396(8) . ?
C015 H015 0.9500 . ?
C015 C01J 1.367(8) . ?
C016 H016 0.9500 . ?
C016 C01O 1.396(8) . ?
C016 C023 1.385(8) . ?
C017 C01A 1.386(8) . ?
C017 C01X 1.405(8) . ?
C018 H018 0.9500 . ?
C01A H01A 0.9500 . ?
C01A C01U 1.394(9) . ?
C01B H01B 0.9500 . ?
C01B C020 1.376(8) . ?
C01C H01C 0.9500 . ?
C01C C01Q 1.386(8) . ?
C01D H01D 0.9500 . ?
C01D C01I 1.391(8) . ?
C01E H01E 0.9500 . ?
C01E C01P 1.385(8) . ?
C01F C01H 1.393(8) . ?
C01F C01V 1.395(7) . ?
C01G H01G 0.9500 . ?
C01G C01J 1.395(9) . ?
C01G C01L 1.384(9) . ?
C01H H01H 0.9500 . ?
C01H C024 1.382(8) . ?
C01I H01I 0.9500 . ?
C01I C01K 1.373(9) . ?
C01J H01J 0.9500 . ?
C01K H01K 0.9500 . ?
C01L H01L 0.9500 . ?
C01M H01M 0.9500 . ?
C01M C01W 1.398(9) . ?
C01N H01N 0.9500 . ?
C01N C01T 1.389(10) . ?
C01N C02C 1.395(8) . ?
C01O C01S 1.387(8) . ?
C01P H01P 0.9500 . ?
C01P C022 1.381(9) . ?
C01Q H01Q 0.9500 . ?
C01Q C022 1.375(9) . ?
C01R H01R 0.9500 . ?
C01R C01V 1.394(8) . ?
C01R C01Y 1.382(8) . ?
C01S H01S 0.9500 . ?
C01S C029 1.384(8) . ?
C01T H01T 0.9500 . ?
C01T C02D 1.368(10) . ?
C01U H01U 0.9500 . ?
C01U C02G 1.365(10) . ?
C01V H01V 0.9500 . ?
C01W C028 1.412(9) . ?
C01X H01X 0.9500 . ?
C01X C02E 1.380(9) . ?
C01Y H01Y 0.9500 . ?
C01Y C024 1.375(8) . ?
C01Z H01Z 0.9500 . ?
C01Z C028 1.372(8) . ?
C01Z C02A 1.418(8) . ?
C020 H020 0.9500 . ?
C020 C026 1.380(8) . ?
C021 H021 0.9500 . ?
C021 C02B 1.388(9) . ?
C022 H022 0.9500 . ?
C023 H023 0.9500 . ?
C023 C025 1.378(9) . ?
C024 H024 0.9500 . ?
C025 H025 0.9500 . ?
C025 C029 1.372(10) . ?
C026 H026 0.9500 . ?
C027 H027 0.9500 . ?
C027 C02B 1.386(9) . ?
C028 H028 0.9500 . ?
C029 H029 0.9500 . ?
C02B H02B 0.9500 . ?
C02C H02C 0.9500 . ?
C02D H02D 0.9500 . ?
C02D C02F 1.400(9) . ?
C02E H02E 0.9500 . ?
C02E C02G 1.387(10) . ?
C02F H02F 0.9500 . ?
C02G H02G 0.9500 . ?
C02H H02A 0.9800 . ?
C02H H02H 0.9800 . ?
C02H H02I 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P005 Os01 P006 177.18(4) . . ?
N00F Os01 P005 87.30(13) . . ?
N00F Os01 P006 89.89(13) . . ?
C00P Os01 P005 90.16(14) . . ?
C00P Os01 P006 92.27(14) . . ?
C00P Os01 N00F 153.63(19) . . ?
C00P Os01 C00Q 78.3(2) . . ?
C00Q Os01 P005 87.73(15) . . ?
C00Q Os01 P006 91.37(15) . . ?
C00Q Os01 N00F 75.42(19) . . ?
C019 Os01 P005 89.37(16) . . ?
C019 Os01 P006 91.72(16) . . ?
C019 Os01 N00F 108.66(19) . . ?
C019 Os01 C00P 97.6(2) . . ?
C019 Os01 C00Q 174.9(2) . . ?
F007 Sb02 F009 89.16(16) . . ?
F008 Sb02 F007 89.82(15) . . ?
F008 Sb02 F009 90.45(17) . . ?
F008 Sb02 F00A 90.42(18) . . ?
F008 Sb02 F00B 179.14(18) . . ?
F00A Sb02 F007 88.67(16) . . ?
F00A Sb02 F009 177.66(17) . . ?
F00B Sb02 F007 90.64(15) . . ?
F00B Sb02 F009 88.83(18) . . ?
F00B Sb02 F00A 90.32(18) . . ?
F00C Sb02 F007 179.46(17) . . ?
F00C Sb02 F008 89.71(17) . . ?
F00C Sb02 F009 90.59(18) . . ?
F00C Sb02 F00A 91.59(18) . . ?
F00C Sb02 F00B 89.83(17) . . ?
F00D Sb03 F00G 89.8(2) . . ?
F00D Sb03 F00H 178.2(2) . . ?
F00D Sb03 F00K 90.8(2) . . ?
F00G Sb03 F00H 91.3(2) . . ?
F00I Sb03 F00D 89.2(2) . . ?
F00I Sb03 F00G 89.9(2) . . ?
F00I Sb03 F00H 89.4(2) . . ?
F00I Sb03 F00K 178.1(2) . . ?
F00I Sb03 F00T 93.2(3) . . ?
F00K Sb03 F00G 88.2(2) . . ?
F00K Sb03 F00H 90.7(2) . . ?
F00T Sb03 F00D 88.0(2) . . ?
F00T Sb03 F00G 176.2(3) . . ?
F00T Sb03 F00H 91.0(3) . . ?
F00T Sb03 F00K 88.6(3) . . ?
C00M P004 C00O 111.3(2) . . ?
C00M P004 C00R 108.3(2) . . ?
C00O P004 C00R 108.3(2) . . ?
C01F P004 C00M 108.6(2) . . ?
C01F P004 C00O 109.4(2) . . ?
C01F P004 C00R 110.8(2) . . ?
C00S P005 Os01 115.51(17) . . ?
C00Z P005 Os01 117.86(18) . . ?
C00Z P005 C00S 102.2(2) . . ?
C01O P005 Os01 110.05(18) . . ?
C01O P005 C00S 109.3(2) . . ?
C01O P005 C00Z 100.7(2) . . ?
C011 P006 Os01 117.59(17) . . ?
C012 P006 Os01 115.68(18) . . ?
C012 P006 C011 100.4(2) . . ?
C017 P006 Os01 109.85(18) . . ?
C017 P006 C011 106.0(3) . . ?
C017 P006 C012 106.2(2) . . ?
N00J N00F Os01 116.7(3) . . ?
N00J N00F C02A 112.1(4) . . ?
C02A N00F Os01 130.7(4) . . ?
N00F N00J C018 113.8(4) . . ?
C01W O00L C02H 115.8(5) . . ?
C00X C00M P004 119.1(4) . . ?
C015 C00M P004 121.0(4) . . ?
C015 C00M C00X 119.8(5) . . ?
C00Q C00N H00N 124.0 . . ?
C00R C00N H00N 124.0 . . ?
C00R C00N C00Q 112.0(4) . . ?
C00W C00O P004 118.2(4) . . ?
C00W C00O C00Y 120.9(5) . . ?
C00Y C00O P004 120.9(4) . . ?
Os01 C00P H00P 121.7 . . ?
C00R C00P Os01 116.6(3) . . ?
C00R C00P H00P 121.7 . . ?
C00N C00Q Os01 117.5(4) . . ?
C018 C00Q Os01 114.8(4) . . ?
C018 C00Q C00N 127.5(5) . . ?
C00N C00R P004 123.2(4) . . ?
C00N C00R C00P 115.7(4) . . ?
C00P C00R P004 121.1(4) . . ?
C013 C00S P005 122.8(4) . . ?
C013 C00S C01D 118.5(5) . . ?
C01D C00S P005 118.6(4) . . ?
C00V C00U H00U 120.2 . . ?
C00V C00U C026 119.5(5) . . ?
C026 C00U H00U 120.2 . . ?
C00U C00V H00V 119.8 . . ?
C00U C00V C00Z 120.5(5) . . ?
C00Z C00V H00V 119.8 . . ?
C00O C00W H00W 120.4 . . ?
C027 C00W C00O 119.2(5) . . ?
C027 C00W H00W 120.4 . . ?
C00M C00X H00X 120.2 . . ?
C01L C00X C00M 119.7(5) . . ?
C01L C00X H00X 120.2 . . ?
C00O C00Y H00Y 120.4 . . ?
C021 C00Y C00O 119.3(5) . . ?
C021 C00Y H00Y 120.4 . . ?
C00V C00Z P005 123.3(4) . . ?
C00V C00Z C01B 119.0(5) . . ?
C01B C00Z P005 117.5(4) . . ?
C013 C010 H010 119.7 . . ?
C01K C010 H010 119.7 . . ?
C01K C010 C013 120.6(5) . . ?
C02C C011 P006 117.5(4) . . ?
C02C C011 C02F 119.5(5) . . ?
C02F C011 P006 122.9(5) . . ?
C01C C012 P006 122.4(4) . . ?
C01C C012 C01E 119.3(5) . . ?
C01E C012 P006 118.2(4) . . ?
C00S C013 H013 120.0 . . ?
C010 C013 C00S 120.1(5) . . ?
C010 C013 H013 120.0 . . ?
C01M C014 H014 119.7 . . ?
C01M C014 C02A 120.7(5) . . ?
C02A C014 H014 119.7 . . ?
C00M C015 H015 120.0 . . ?
C01J C015 C00M 120.1(5) . . ?
C01J C015 H015 120.0 . . ?
C01O C016 H016 119.6 . . ?
C023 C016 H016 119.6 . . ?
C023 C016 C01O 120.8(6) . . ?
C01A C017 P006 121.0(4) . . ?
C01A C017 C01X 118.9(5) . . ?
C01X C017 P006 119.4(4) . . ?
N00J C018 C00Q 119.1(5) . . ?
N00J C018 H018 120.5 . . ?
C00Q C018 H018 120.5 . . ?
O00E C019 Os01 175.6(5) . . ?
C017 C01A H01A 119.9 . . ?
C017 C01A C01U 120.3(6) . . ?
C01U C01A H01A 119.9 . . ?
C00Z C01B H01B 119.7 . . ?
C020 C01B C00Z 120.6(5) . . ?
C020 C01B H01B 119.7 . . ?
C012 C01C H01C 119.6 . . ?
C01Q C01C C012 120.8(5) . . ?
C01Q C01C H01C 119.6 . . ?
C00S C01D H01D 119.5 . . ?
C01I C01D C00S 121.0(5) . . ?
C01I C01D H01D 119.5 . . ?
C012 C01E H01E 120.3 . . ?
C01P C01E C012 119.4(6) . . ?
C01P C01E H01E 120.3 . . ?
C01H C01F P004 120.5(4) . . ?
C01H C01F C01V 119.4(5) . . ?
C01V C01F P004 120.0(4) . . ?
C01J C01G H01G 119.7 . . ?
C01L C01G H01G 119.7 . . ?
C01L C01G C01J 120.6(5) . . ?
C01F C01H H01H 119.9 . . ?
C024 C01H C01F 120.2(5) . . ?
C024 C01H H01H 119.9 . . ?
C01D C01I H01I 120.1 . . ?
C01K C01I C01D 119.9(5) . . ?
C01K C01I H01I 120.1 . . ?
C015 C01J C01G 120.1(6) . . ?
C015 C01J H01J 120.0 . . ?
C01G C01J H01J 120.0 . . ?
C010 C01K H01K 120.0 . . ?
C01I C01K C010 120.0(5) . . ?
C01I C01K H01K 120.0 . . ?
C00X C01L C01G 119.8(6) . . ?
C00X C01L H01L 120.1 . . ?
C01G C01L H01L 120.1 . . ?
C014 C01M H01M 120.3 . . ?
C014 C01M C01W 119.5(6) . . ?
C01W C01M H01M 120.3 . . ?
C01T C01N H01N 120.1 . . ?
C01T C01N C02C 119.9(6) . . ?
C02C C01N H01N 120.1 . . ?
C016 C01O P005 115.9(4) . . ?
C01S C01O P005 125.5(4) . . ?
C01S C01O C016 118.5(5) . . ?
C01E C01P H01P 119.8 . . ?
C022 C01P C01E 120.5(6) . . ?
C022 C01P H01P 119.8 . . ?
C01C C01Q H01Q 120.3 . . ?
C022 C01Q C01C 119.3(6) . . ?
C022 C01Q H01Q 120.3 . . ?
C01V C01R H01R 120.0 . . ?
C01Y C01R H01R 120.0 . . ?
C01Y C01R C01V 120.0(5) . . ?
C01O C01S H01S 120.0 . . ?
C029 C01S C01O 120.0(6) . . ?
C029 C01S H01S 120.0 . . ?
C01N C01T H01T 120.1 . . ?
C02D C01T C01N 119.9(6) . . ?
C02D C01T H01T 120.1 . . ?
C01A C01U H01U 119.7 . . ?
C02G C01U C01A 120.7(6) . . ?
C02G C01U H01U 119.7 . . ?
C01F C01V H01V 120.1 . . ?
C01R C01V C01F 119.8(5) . . ?
C01R C01V H01V 120.1 . . ?
O00L C01W C01M 124.3(6) . . ?
O00L C01W C028 115.5(5) . . ?
C01M C01W C028 120.2(5) . . ?
C017 C01X H01X 120.2 . . ?
C02E C01X C017 119.7(6) . . ?
C02E C01X H01X 120.2 . . ?
C01R C01Y H01Y 119.9 . . ?
C024 C01Y C01R 120.3(5) . . ?
C024 C01Y H01Y 119.9 . . ?
C028 C01Z H01Z 120.1 . . ?
C028 C01Z C02A 119.7(6) . . ?
C02A C01Z H01Z 120.1 . . ?
C01B C020 H020 119.9 . . ?
C01B C020 C026 120.1(6) . . ?
C026 C020 H020 119.9 . . ?
C00Y C021 H021 119.9 . . ?
C00Y C021 C02B 120.1(6) . . ?
C02B C021 H021 119.9 . . ?
C01P C022 H022 119.7 . . ?
C01Q C022 C01P 120.6(5) . . ?
C01Q C022 H022 119.7 . . ?
C016 C023 H023 120.1 . . ?
C025 C023 C016 119.9(6) . . ?
C025 C023 H023 120.1 . . ?
C01H C024 H024 119.8 . . ?
C01Y C024 C01H 120.4(5) . . ?
C01Y C024 H024 119.8 . . ?
C023 C025 H025 120.2 . . ?
C029 C025 C023 119.6(5) . . ?
C029 C025 H025 120.2 . . ?
C00U C026 H026 119.8 . . ?
C020 C026 C00U 120.3(5) . . ?
C020 C026 H026 119.8 . . ?
C00W C027 H027 119.8 . . ?
C02B C027 C00W 120.3(6) . . ?
C02B C027 H027 119.8 . . ?
C01W C028 H028 119.9 . . ?
C01Z C028 C01W 120.2(6) . . ?
C01Z C028 H028 119.9 . . ?
C01S C029 H029 119.4 . . ?
C025 C029 C01S 121.1(6) . . ?
C025 C029 H029 119.4 . . ?
C014 C02A N00F 118.4(5) . . ?
C014 C02A C01Z 119.7(5) . . ?
C01Z C02A N00F 121.9(5) . . ?
C021 C02B H02B 119.9 . . ?
C027 C02B C021 120.2(6) . . ?
C027 C02B H02B 119.9 . . ?
C011 C02C C01N 120.3(6) . . ?
C011 C02C H02C 119.8 . . ?
C01N C02C H02C 119.8 . . ?
C01T C02D H02D 119.5 . . ?
C01T C02D C02F 120.9(6) . . ?
C02F C02D H02D 119.5 . . ?
C01X C02E H02E 119.5 . . ?
C01X C02E C02G 121.0(6) . . ?
C02G C02E H02E 119.5 . . ?
C011 C02F C02D 119.4(6) . . ?
C011 C02F H02F 120.3 . . ?
C02D C02F H02F 120.3 . . ?
C01U C02G C02E 119.4(6) . . ?
C01U C02G H02G 120.3 . . ?
C02E C02G H02G 120.3 . . ?
O00L C02H H02A 109.5 . . ?
O00L C02H H02H 109.5 . . ?
O00L C02H H02I 109.5 . . ?
H02A C02H H02H 109.5 . . ?
H02A C02H H02I 109.5 . . ?
H02H C02H H02I 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Os01 P005 C00S C013 72.9(5) . . . . ?
Os01 P005 C00S C01D -103.2(4) . . . . ?
Os01 P005 C00Z C00V 24.1(5) . . . . ?
Os01 P005 C00Z C01B -160.6(4) . . . . ?
Os01 P005 C01O C016 67.0(5) . . . . ?
Os01 P005 C01O C01S -108.0(5) . . . . ?
Os01 P006 C011 C02C -59.7(5) . . . . ?
Os01 P006 C011 C02F 122.7(4) . . . . ?
Os01 P006 C012 C01C 14.0(5) . . . . ?
Os01 P006 C012 C01E -168.7(4) . . . . ?
Os01 P006 C017 C01A 97.9(5) . . . . ?
Os01 P006 C017 C01X -73.1(5) . . . . ?
Os01 N00F N00J C018 4.7(6) . . . . ?
Os01 N00F C02A C014 -24.8(8) . . . . ?
Os01 N00F C02A C01Z 155.7(4) . . . . ?
Os01 C00P C00R P004 178.8(2) . . . . ?
Os01 C00P C00R C00N -0.2(6) . . . . ?
Os01 C00Q C018 N00J -2.2(7) . . . . ?
P004 C00M C00X C01L 179.2(4) . . . . ?
P004 C00M C015 C01J -179.4(4) . . . . ?
P004 C00O C00W C027 -178.1(4) . . . . ?
P004 C00O C00Y C021 177.8(4) . . . . ?
P004 C01F C01H C024 176.6(4) . . . . ?
P004 C01F C01V C01R -176.7(4) . . . . ?
P005 C00S C013 C010 -179.5(4) . . . . ?
P005 C00S C01D C01I 178.0(4) . . . . ?
P005 C00Z C01B C020 -174.8(5) . . . . ?
P005 C01O C01S C029 175.4(5) . . . . ?
P006 C011 C02C C01N -179.5(5) . . . . ?
P006 C011 C02F C02D -179.9(5) . . . . ?
P006 C012 C01C C01Q 178.5(4) . . . . ?
P006 C012 C01E C01P -178.5(5) . . . . ?
P006 C017 C01A C01U -171.9(5) . . . . ?
P006 C017 C01X C02E 173.6(5) . . . . ?
N00F N00J C018 C00Q -1.7(8) . . . . ?
N00J N00F C02A C014 163.4(5) . . . . ?
N00J N00F C02A C01Z -16.0(8) . . . . ?
O00L C01W C028 C01Z -176.4(6) . . . . ?
C00M P004 C00O C00W -178.1(4) . . . . ?
C00M P004 C00O C00Y 2.8(5) . . . . ?
C00M P004 C00R C00N -126.4(4) . . . . ?
C00M P004 C00R C00P 54.7(5) . . . . ?
C00M P004 C01F C01H -68.0(5) . . . . ?
C00M P004 C01F C01V 108.4(5) . . . . ?
C00M C00X C01L C01G -0.2(8) . . . . ?
C00M C015 C01J C01G 0.8(8) . . . . ?
C00N C00Q C018 N00J -176.5(5) . . . . ?
C00O P004 C00M C00X -59.4(5) . . . . ?
C00O P004 C00M C015 118.3(4) . . . . ?
C00O P004 C00R C00N -5.6(5) . . . . ?
C00O P004 C00R C00P 175.5(4) . . . . ?
C00O P004 C01F C01H 170.3(4) . . . . ?
C00O P004 C01F C01V -13.3(5) . . . . ?
C00O C00W C027 C02B 0.5(9) . . . . ?
C00O C00Y C021 C02B 0.1(9) . . . . ?
C00Q C00N C00R P004 -178.9(4) . . . . ?
C00Q C00N C00R C00P 0.1(7) . . . . ?
C00R P004 C00M C00X 59.6(5) . . . . ?
C00R P004 C00M C015 -122.7(4) . . . . ?
C00R P004 C00O C00W 62.9(5) . . . . ?
C00R P004 C00O C00Y -116.1(4) . . . . ?
C00R P004 C01F C01H 50.9(5) . . . . ?
C00R P004 C01F C01V -132.7(4) . . . . ?
C00R C00N C00Q Os01 0.1(6) . . . . ?
C00R C00N C00Q C018 174.2(5) . . . . ?
C00S P005 C00Z C00V -103.7(5) . . . . ?
C00S P005 C00Z C01B 71.6(5) . . . . ?
C00S P005 C01O C016 -165.1(4) . . . . ?
C00S P005 C01O C01S 19.8(6) . . . . ?
C00S C01D C01I C01K 0.4(9) . . . . ?
C00U C00V C00Z P005 174.8(4) . . . . ?
C00U C00V C00Z C01B -0.4(8) . . . . ?
C00V C00U C026 C020 1.3(9) . . . . ?
C00V C00Z C01B C020 0.7(8) . . . . ?
C00W C00O C00Y C021 -1.3(8) . . . . ?
C00W C027 C02B C021 -1.7(9) . . . . ?
C00X C00M C015 C01J -1.7(8) . . . . ?
C00Y C00O C00W C027 1.0(8) . . . . ?
C00Y C021 C02B C027 1.4(9) . . . . ?
C00Z P005 C00S C013 -157.8(5) . . . . ?
C00Z P005 C00S C01D 26.1(5) . . . . ?
C00Z P005 C01O C016 -58.1(5) . . . . ?
C00Z P005 C01O C01S 126.9(5) . . . . ?
C00Z C01B C020 C026 0.0(9) . . . . ?
C011 P006 C012 C01C -113.7(5) . . . . ?
C011 P006 C012 C01E 63.6(5) . . . . ?
C011 P006 C017 C01A -134.1(5) . . . . ?
C011 P006 C017 C01X 54.9(5) . . . . ?
C012 P006 C011 C02C 66.7(5) . . . . ?
C012 P006 C011 C02F -110.9(5) . . . . ?
C012 P006 C017 C01A -27.8(5) . . . . ?
C012 P006 C017 C01X 161.1(4) . . . . ?
C012 C01C C01Q C022 -0.1(8) . . . . ?
C012 C01E C01P C022 -0.3(9) . . . . ?
C013 C00S C01D C01I 1.8(8) . . . . ?
C013 C010 C01K C01I -0.7(9) . . . . ?
C014 C01M C01W O00L 178.5(6) . . . . ?
C014 C01M C01W C028 0.1(9) . . . . ?
C015 C00M C00X C01L 1.4(8) . . . . ?
C016 C01O C01S C029 0.5(9) . . . . ?
C016 C023 C025 C029 -2.6(9) . . . . ?
C017 P006 C011 C02C 177.1(4) . . . . ?
C017 P006 C011 C02F -0.5(5) . . . . ?
C017 P006 C012 C01C 136.1(4) . . . . ?
C017 P006 C012 C01E -46.6(5) . . . . ?
C017 C01A C01U C02G -0.3(10) . . . . ?
C017 C01X C02E C02G -2.8(10) . . . . ?
C01A C017 C01X C02E 2.4(9) . . . . ?
C01A C01U C02G C02E -0.1(11) . . . . ?
C01B C020 C026 C00U -1.0(9) . . . . ?
C01C C012 C01E C01P -1.1(8) . . . . ?
C01C C01Q C022 C01P -1.3(9) . . . . ?
C01D C00S C013 C010 -3.4(8) . . . . ?
C01D C01I C01K C010 -1.0(9) . . . . ?
C01E C012 C01C C01Q 1.3(8) . . . . ?
C01E C01P C022 C01Q 1.5(9) . . . . ?
C01F P004 C00M C00X -179.9(4) . . . . ?
C01F P004 C00M C015 -2.2(5) . . . . ?
C01F P004 C00O C00W -58.0(5) . . . . ?
C01F P004 C00O C00Y 122.9(4) . . . . ?
C01F P004 C00R C00N 114.5(5) . . . . ?
C01F P004 C00R C00P -64.4(5) . . . . ?
C01F C01H C024 C01Y -0.1(8) . . . . ?
C01H C01F C01V C01R -0.3(8) . . . . ?
C01J C01G C01L C00X -0.7(8) . . . . ?
C01K C010 C013 C00S 2.9(9) . . . . ?
C01L C01G C01J C015 0.5(9) . . . . ?
C01M C014 C02A N00F -176.4(5) . . . . ?
C01M C014 C02A C01Z 3.0(9) . . . . ?
C01M C01W C028 C01Z 2.2(9) . . . . ?
C01N C01T C02D C02F -2.1(10) . . . . ?
C01O P005 C00S C013 -51.8(5) . . . . ?
C01O P005 C00S C01D 132.2(4) . . . . ?
C01O P005 C00Z C00V 143.7(4) . . . . ?
C01O P005 C00Z C01B -41.0(5) . . . . ?
C01O C016 C023 C025 3.7(9) . . . . ?
C01O C01S C029 C025 0.5(10) . . . . ?
C01R C01Y C024 C01H 0.2(9) . . . . ?
C01T C01N C02C C011 -1.0(9) . . . . ?
C01T C02D C02F C011 -0.6(10) . . . . ?
C01V C01F C01H C024 0.2(8) . . . . ?
C01V C01R C01Y C024 -0.4(9) . . . . ?
C01X C017 C01A C01U -0.8(9) . . . . ?
C01X C02E C02G C01U 1.7(12) . . . . ?
C01Y C01R C01V C01F 0.4(9) . . . . ?
C023 C016 C01O P005 -178.0(4) . . . . ?
C023 C016 C01O C01S -2.6(8) . . . . ?
C023 C025 C029 C01S 0.5(10) . . . . ?
C026 C00U C00V C00Z -0.6(8) . . . . ?
C028 C01Z C02A N00F 178.7(5) . . . . ?
C028 C01Z C02A C014 -0.7(9) . . . . ?
C02A N00F N00J C018 177.7(5) . . . . ?
C02A C014 C01M C01W -2.7(9) . . . . ?
C02A C01Z C028 C01W -1.8(9) . . . . ?
C02C C011 C02F C02D 2.6(9) . . . . ?
C02C C01N C01T C02D 2.9(10) . . . . ?
C02F C011 C02C C01N -1.8(9) . . . . ?
C02H O00L C01W C01M -9.4(9) . . . . ?
C02H O00L C01W C028 169.0(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_czw508_20210428_0m
_database_code_depnum_ccdc_archive 'CCDC 2233814'
loop_
_audit_author_name
_audit_author_address
'Zhenwei Chu'
;Department of chemistry, Southern University of Science and Technology
China
;
_audit_update_record             
;
2023-03-05 deposited with the CCDC.	2023-03-14 downloaded from the CCDC.
;
_audit_creation_date             2022-12-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C66 H53 N2 O Os P3), 4(F6 Sb), C H2 Cl2'
_chemical_formula_sum            'C133 H108 Cl2 F24 N4 O2 Os2 P6 Sb4'
_chemical_formula_weight         3374.35
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6995(9)
_cell_length_b                   21.8835(15)
_cell_length_c                   25.5349(19)
_cell_angle_alpha                104.879(4)
_cell_angle_beta                 91.321(4)
_cell_angle_gamma                95.310(4)
_cell_volume                     6283.8(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9863
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      68.33
_cell_measurement_theta_min      3.80
_shelx_estimated_absorpt_T_max   0.525
_shelx_estimated_absorpt_T_min   0.320
_exptl_absorpt_coefficient_mu    12.319
_exptl_absorpt_correction_T_max  0.1665
_exptl_absorpt_correction_T_min  0.0516
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1529 before and 0.0927 after correction.
The Ratio of minimum to maximum transmission is 0.3099.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'yellowish green'
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3292
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0819
_diffrn_reflns_av_unetI/netI     0.0963
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            75780
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        62.496
_diffrn_reflns_theta_max         62.496
_diffrn_reflns_theta_min         2.100
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14923
_reflns_number_total             19902
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.900
_refine_diff_density_min         -1.662
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1657
_refine_ls_number_reflns         19902
_refine_ls_number_restraints     156
_refine_ls_R_factor_all          0.0749
_refine_ls_R_factor_gt           0.0539
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0496P)²+8.1822P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1341
_refine_ls_wR_factor_ref         0.1448
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
F2 \\sim Sb1 \\sim F3 \\sim F4 \\sim F8 \\sim F1AA \\sim F11 \\sim F2AA \\sim
Sb0A \\sim F7 \\sim F18 \\sim F5 \\sim F0AA \\sim F9: within 2A with sigma of
0.005 and sigma for terminal atoms of 0.01
3. Others
 Fixed Sof: Sb1(0.5) Sb0A(0.5) F2(0.5) F3(0.5) F4(0.5) F5(0.5) F7(0.5) F8(0.5)
 F1AA(0.5) F0AA(0.5) F9(0.5) F11(0.5) F18(0.5) F2AA(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C04X(H04T,H04V)
4.b Aromatic/amide H refined with riding coordinates:
 C00X(H00X), C013(H013), C014(H014), C015(H015), C01A(H01A), C01B(H01B),
 C01E(H01E), C01F(H01F), C01G(H01G), C01H(H01H), C01K(H01K), C01L(H01L),
 C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q), C01U(H01U),
 C01W(H01W), C01Z(H01Z), C020(H020), C021(H021), C022(H022), C023(H023),
 C024(H024), C025(H025), C027(H027), C028(H028), C029(H029), C02A(H02A),
 C02B(H02B), C02C(H02C), C02D(H02D), C02E(H02E), C02F(H02F), C02G(H02G),
 C02H(H02H), C02I(H02I), C02J(H02J), C02M(H02M), C02N(H02N), C02O(H02O),
 C02R(H02R), C02S(H02S), C02T(H02T), C02U(H02U), C02V(H02V), C02Y(H02Y),
 C02Z(H02Z), C030(H030), C031(H031), C032(H032), C033(H033), C034(H034),
 C035(H035), C037(H037), C038(H038), C039(H039), C03B(H03B), C03C(H03C),
 C03D(H03D), C03E(H03E), C03F(H03F), C03G(H03G), C03H(H03H), C03I(H03I),
 C03J(H03J), C03M(H03M), C03P(H03P), C03Q(H03Q), C03S(H03S), C03T(H03T),
 C03U(H03U), C03V(H03V), C03X(H03X), C03Y(H03Y), C03Z(H03Z), C040(H040),
 C041(H041), C042(H042), C044(H044), C045(H045), C046(H046), C047(H047),
 C048(H048), C049(H049), C04A(H04A), C04B(H04B), C04C(H04C), C04D(H04D),
 C04E(H04E), C04F(H04F), C04G(H04G), C04H(H04H), C04I(H04I), C04J(H04J),
 C04K(H04K), C04L(H04L), C04M(H04M), C04N(H04N), C04O(H04O), C04P(H04P),
 C04Q(H04Q), C04R(H04R), C04S(H04S), C04U(H04U)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os01 Os 0.70606(3) 0.80677(2) 0.66655(2) 0.03832(10) Uani 1 1 d . . . . .
Os02 Os 0.75255(3) 0.18586(2) 0.85274(2) 0.04034(11) Uani 1 1 d . . . . .
Sb03 Sb 0.28194(5) 0.21310(3) 1.07586(2) 0.05531(16) Uani 1 1 d . . . . .
Sb04 Sb 0.27594(6) 0.80874(3) 0.41901(2) 0.05590(16) Uani 1 1 d . . . . .
Sb00 Sb 0.77741(6) 0.56137(3) 0.42392(3) 0.07100(19) Uani 1 1 d . . . . .
P007 P 0.72260(17) 0.37688(9) 0.80545(8) 0.0421(4) Uani 1 1 d . . . . .
P008 P 0.74745(17) 0.60812(9) 0.69673(8) 0.0425(4) Uani 1 1 d . . . . .
P009 P 0.49730(16) 0.78457(9) 0.66020(8) 0.0409(4) Uani 1 1 d . . . . .
P00A P 0.54601(16) 0.16589(9) 0.85182(8) 0.0412(4) Uani 1 1 d . . . . .
P00B P 0.91353(16) 0.83072(9) 0.66961(8) 0.0398(4) Uani 1 1 d . . . . .
P00C P 0.96114(17) 0.20163(9) 0.85711(8) 0.0420(4) Uani 1 1 d . . . . .
Cl00 Cl 0.7570(3) 0.94936(18) 0.45565(13) 0.0968(9) Uani 1 1 d . . . . .
Cl1 Cl 0.8859(3) 0.83874(18) 0.44329(13) 0.1005(10) Uani 1 1 d . . . . .
F00F F 0.2738(5) 0.8124(3) 0.3464(2) 0.0727(15) Uani 1 1 d . . . . .
F00G F 0.2851(5) 0.2060(3) 1.1476(2) 0.0817(18) Uani 1 1 d . . . . .
O00H O 0.7459(5) 0.0670(3) 0.7569(2) 0.0515(13) Uani 1 1 d . . . . .
F00I F 0.3126(6) 0.7245(2) 0.3965(2) 0.0742(15) Uani 1 1 d . . . . .
O00J O 0.7002(5) 0.9208(3) 0.7671(2) 0.0485(12) Uani 1 1 d . . . . .
N00K N 0.6949(6) 0.8022(3) 0.5501(3) 0.0461(15) Uani 1 1 d . . . . .
F00L F 0.2834(6) 0.8036(3) 0.4908(2) 0.0859(18) Uani 1 1 d . . . . .
F00M F 0.4344(6) 0.8357(3) 0.4237(2) 0.0783(16) Uani 1 1 d . . . . .
F00N F 0.1329(5) 0.1701(3) 1.0632(2) 0.0752(15) Uani 1 1 d . . . . .
F00O F 0.2443(7) 0.8931(3) 0.4410(3) 0.095(2) Uani 1 1 d . . . . .
N00P N 0.6833(6) 0.8414(3) 0.5986(3) 0.0449(15) Uani 1 1 d . . . . .
F00Q F 0.4297(5) 0.2567(3) 1.0857(2) 0.0832(17) Uani 1 1 d . . . . .
N00R N 0.7647(6) 0.2050(3) 0.9719(3) 0.0490(16) Uani 1 1 d . . . . .
F00S F 0.1209(6) 0.7801(3) 0.4130(3) 0.0866(17) Uani 1 1 d . . . . .
N00T N 0.7694(6) 0.1600(3) 0.9278(3) 0.0469(15) Uani 1 1 d . . . . .
F00U F 0.2183(6) 0.2888(3) 1.0991(3) 0.0927(19) Uani 1 1 d . . . . .
C00V C 0.7370(7) 0.6762(3) 0.6689(3) 0.0399(16) Uani 1 1 d . . . . .
F00W F 0.2757(6) 0.2201(4) 1.0042(3) 0.103(2) Uani 1 1 d . . . . .
C00X C 0.7179(6) 0.7362(3) 0.7029(3) 0.0393(16) Uani 1 1 d . . . . .
H00X H 0.711022 0.742671 0.740887 0.047 Uiso 1 1 calc R . . . .
C00Y C 0.7325(7) 0.3140(4) 0.8398(3) 0.0437(17) Uani 1 1 d . . . . .
C00Z C 0.7230(6) 0.7307(3) 0.6021(3) 0.0404(16) Uani 1 1 d . . . . .
C011 C 0.7459(7) 0.2680(4) 0.9121(3) 0.0467(18) Uani 1 1 d . . . . .
C012 C 0.6193(7) 0.5996(3) 0.7336(3) 0.0443(18) Uani 1 1 d . . . . .
C013 C 0.7193(7) 0.7432(4) 0.5516(3) 0.0472(18) Uani 1 1 d . . . . .
H013 H 0.733104 0.711983 0.519580 0.057 Uiso 1 1 calc R . . . .
C014 C 0.7426(7) 0.2498(4) 0.8103(3) 0.0442(17) Uani 1 1 d . . . . .
H014 H 0.744540 0.238108 0.771832 0.053 Uiso 1 1 calc R . . . .
C015 C 0.4460(8) 0.1350(4) 0.6906(4) 0.051(2) Uani 1 1 d . . . . .
H015 H 0.478891 0.137796 0.657544 0.062 Uiso 1 1 calc R . . . .
C016 C 0.7010(6) 0.8790(4) 0.7293(4) 0.0425(18) Uani 1 1 d . . . . .
F017 F 0.7367(7) 0.6432(3) 0.4236(3) 0.108(2) Uani 1 1 d . . . . .
C018 C 0.8489(7) 0.3789(4) 0.7668(3) 0.0464(19) Uani 1 1 d . . . . .
C019 C 0.4134(6) 0.8487(4) 0.6527(3) 0.0452(18) Uani 1 1 d . . . . .
C01A C 0.7364(7) 0.3250(4) 0.8954(3) 0.0456(18) Uani 1 1 d . . . . .
H01A H 0.733195 0.365628 0.919843 0.055 Uiso 1 1 calc R . . . .
C01B C 1.0023(8) 0.8507(4) 0.8312(4) 0.053(2) Uani 1 1 d . . . . .
H01B H 0.965345 0.847154 0.863161 0.064 Uiso 1 1 calc R . . . .
C01C C 0.7203(7) 0.4524(4) 0.8536(3) 0.0428(17) Uani 1 1 d . . . . .
F01D F 0.3473(7) 0.1372(3) 1.0531(4) 0.111(3) Uani 1 1 d . . . . .
C01E C 0.7376(6) 0.6718(3) 0.6137(3) 0.0430(17) Uani 1 1 d . . . . .
H01E H 0.746799 0.633746 0.586783 0.052 Uiso 1 1 calc R . . . .
C01F C 0.9693(7) 0.9612(4) 0.6914(4) 0.0493(19) Uani 1 1 d . . . . .
H01F H 0.973490 0.959322 0.728193 0.059 Uiso 1 1 calc R . . . .
C01G C 0.2522(7) 0.8866(4) 0.6128(4) 0.052(2) Uani 1 1 d . . . . .
H01G H 0.188292 0.879125 0.587598 0.062 Uiso 1 1 calc R . . . .
C01H C 0.9359(7) 0.8421(4) 0.7827(3) 0.0451(18) Uani 1 1 d . . . . .
H01H H 0.854675 0.834185 0.782414 0.054 Uiso 1 1 calc R . . . .
C01I C 0.7575(7) 0.5367(4) 0.6451(3) 0.0491(19) Uani 1 1 d . . . . .
C01J C 0.7501(7) 0.1104(4) 0.7937(3) 0.0436(18) Uani 1 1 d . . . . .
C01K C 0.7918(8) 0.5044(4) 0.8483(3) 0.0481(19) Uani 1 1 d . . . . .
H01K H 0.844940 0.499445 0.820284 0.058 Uiso 1 1 calc R . . . .
C01L C 1.0259(7) 0.2104(4) 0.7021(3) 0.0495(19) Uani 1 1 d . . . . .
H01L H 0.987205 0.197263 0.667362 0.059 Uiso 1 1 calc R . . . .
C01M C 0.9707(7) 0.1996(3) 0.7471(3) 0.0427(17) Uani 1 1 d . . . . .
H01M H 0.894537 0.179138 0.743049 0.051 Uiso 1 1 calc R . . . .
C01N C 1.0713(7) 0.6679(4) 0.6253(4) 0.056(2) Uani 1 1 d . . . . .
H01N H 1.090268 0.636414 0.642657 0.067 Uiso 1 1 calc R . . . .
C01O C 1.0179(7) 0.7191(4) 0.6534(3) 0.0464(18) Uani 1 1 d . . . . .
H01O H 0.999262 0.721952 0.689915 0.056 Uiso 1 1 calc R . . . .
C01P C 1.1188(8) 0.8642(4) 0.8331(4) 0.054(2) Uani 1 1 d . . . . .
H01P H 1.163013 0.870433 0.866033 0.065 Uiso 1 1 calc R . . . .
C01Q C 0.4764(8) 0.3010(4) 0.6858(4) 0.055(2) Uani 1 1 d . . . . .
H01Q H 0.461030 0.262444 0.658173 0.066 Uiso 1 1 calc R . . . .
F01R F 0.8165(8) 0.4813(4) 0.4259(4) 0.122(3) Uani 1 1 d . . . . .
F01S F 0.9287(7) 0.5949(4) 0.4295(5) 0.130(3) Uani 1 1 d . . . . .
C01T C 0.9896(7) 0.8453(3) 0.7352(3) 0.0413(16) Uani 1 1 d . . . . .
C01U C 0.5168(7) 0.5776(4) 0.7036(4) 0.0495(19) Uani 1 1 d . . . . .
H01U H 0.515445 0.564913 0.665137 0.059 Uiso 1 1 calc R . . . .
C01V C 0.9487(7) 0.9052(4) 0.6503(3) 0.0433(17) Uani 1 1 d . . . . .
C01W C 0.4846(7) 0.7837(4) 0.7703(3) 0.0487(19) Uani 1 1 d . . . . .
H01W H 0.559643 0.805608 0.776026 0.058 Uiso 1 1 calc R . . . .
C01X C 1.0280(7) 0.2191(4) 0.7982(3) 0.0454(18) Uani 1 1 d . . . . .
C01Y C 0.4329(7) 0.7638(4) 0.7183(3) 0.0474(19) Uani 1 1 d . . . . .
C01Z C 0.4250(8) 0.7714(5) 0.8141(4) 0.061(2) Uani 1 1 d . . . . .
H01Z H 0.460475 0.784402 0.849581 0.073 Uiso 1 1 calc R . . . .
C020 C 1.1401(8) 0.2487(4) 0.8035(4) 0.055(2) Uani 1 1 d . . . . .
H020 H 1.179912 0.261747 0.837975 0.065 Uiso 1 1 calc R . . . .
C021 C 0.4700(8) -0.0186(4) 0.8567(4) 0.059(2) Uani 1 1 d . . . . .
H021 H 0.463298 -0.058752 0.830794 0.071 Uiso 1 1 calc R . . . .
C022 C 0.3170(7) 0.8365(4) 0.6152(3) 0.0501(19) Uani 1 1 d . . . . .
H022 H 0.296749 0.795124 0.592228 0.060 Uiso 1 1 calc R . . . .
C023 C 0.7523(7) 0.2629(4) 0.9648(4) 0.051(2) Uani 1 1 d . . . . .
H023 H 0.748141 0.298717 0.994743 0.062 Uiso 1 1 calc R . . . .
C024 C 0.6224(7) 0.6179(4) 0.7900(4) 0.0506(19) Uani 1 1 d . . . . .
H024 H 0.692798 0.633234 0.810462 0.061 Uiso 1 1 calc R . . . .
C025 C 1.0151(8) 0.2627(4) 0.9671(3) 0.055(2) Uani 1 1 d . . . . .
H025 H 1.013450 0.221931 0.973814 0.066 Uiso 1 1 calc R . . . .
C026 C 1.0358(6) 0.1350(4) 0.8673(3) 0.0433(17) Uani 1 1 d . . . . .
C027 C 1.1719(8) 0.8686(4) 0.7852(4) 0.052(2) Uani 1 1 d . . . . .
H027 H 1.252957 0.878042 0.786194 0.062 Uiso 1 1 calc R . . . .
C028 C 0.5144(7) 0.1477(4) 0.7381(3) 0.0468(18) Uani 1 1 d . . . . .
H028 H 0.594572 0.158858 0.737238 0.056 Uiso 1 1 calc R . . . .
C029 C 0.4373(7) 0.2746(4) 0.8573(3) 0.0475(18) Uani 1 1 d . . . . .
H029 H 0.438460 0.261755 0.818861 0.057 Uiso 1 1 calc R . . . .
C02A C 0.9837(7) 1.0198(4) 0.6793(4) 0.059(2) Uani 1 1 d . . . . .
H02A H 0.996915 1.057709 0.707864 0.071 Uiso 1 1 calc R . . . .
C02B C 0.2803(8) 0.9466(4) 0.6468(4) 0.053(2) Uani 1 1 d . . . . .
H02B H 0.236760 0.980395 0.644255 0.064 Uiso 1 1 calc R . . . .
C02C C 0.4383(7) 0.9090(4) 0.6870(4) 0.052(2) Uani 1 1 d . . . . .
H02C H 0.501747 0.917291 0.712623 0.063 Uiso 1 1 calc R . . . .
C02D C 0.8428(8) 0.3628(4) 0.7106(4) 0.055(2) Uani 1 1 d . . . . .
H02D H 0.770676 0.349766 0.691145 0.066 Uiso 1 1 calc R . . . .
C02E C 0.6955(7) 0.4803(4) 0.6477(3) 0.0480(19) Uani 1 1 d . . . . .
H02E H 0.640795 0.481036 0.674673 0.058 Uiso 1 1 calc R . . . .
C02F C 0.6431(8) 0.4603(4) 0.8947(4) 0.052(2) Uani 1 1 d . . . . .
H02F H 0.592621 0.425224 0.898316 0.063 Uiso 1 1 calc R . . . .
C02G C 0.9910(7) 0.6815(5) 0.8192(4) 0.056(2) Uani 1 1 d . . . . .
H02G H 1.007473 0.719787 0.847013 0.067 Uiso 1 1 calc R . . . .
C02H C 0.3479(7) 0.1266(4) 0.7872(4) 0.0515(19) Uani 1 1 d . . . . .
H02H H 0.314339 0.123620 0.820080 0.062 Uiso 1 1 calc R . . . .
C02I C 0.3961(8) 0.3315(4) 0.8819(4) 0.055(2) Uani 1 1 d . . . . .
H02I H 0.367345 0.356934 0.860473 0.066 Uiso 1 1 calc R . . . .
C02J C 0.5584(7) 0.8980(4) 0.5524(3) 0.0501(19) Uani 1 1 d . . . . .
H02J H 0.534494 0.859087 0.526332 0.060 Uiso 1 1 calc R . . . .
C02K C 0.4677(6) 0.1442(3) 0.7867(3) 0.0412(16) Uani 1 1 d . . . . .
C02L C 0.9903(6) 0.7670(4) 0.6293(3) 0.0435(17) Uani 1 1 d . . . . .
C02M C 0.3713(7) 0.9578(4) 0.6845(4) 0.053(2) Uani 1 1 d . . . . .
H02M H 0.388402 0.998747 0.708724 0.064 Uiso 1 1 calc R . . . .
C02N C 0.9557(7) 0.3975(4) 0.7948(4) 0.0506(19) Uani 1 1 d . . . . .
H02N H 0.960178 0.408557 0.833293 0.061 Uiso 1 1 calc R . . . .
C02O C 1.0004(7) 0.0737(4) 0.8394(4) 0.055(2) Uani 1 1 d . . . . .
H02O H 0.934967 0.065813 0.815045 0.066 Uiso 1 1 calc R . . . .
F02P F 0.6219(7) 0.5317(4) 0.4117(5) 0.128(3) Uani 1 1 d . . . . .
F02Q F 0.7802(10) 0.5427(5) 0.3480(3) 0.149(4) Uani 1 1 d . . . . .
C02R C 0.3203(7) 0.7325(4) 0.7104(4) 0.054(2) Uani 1 1 d . . . . .
H02R H 0.283418 0.719342 0.675175 0.065 Uiso 1 1 calc R . . . .
C02S C 0.3290(8) 0.1181(4) 0.6920(4) 0.057(2) Uani 1 1 d . . . . .
H02S H 0.281954 0.109527 0.659652 0.068 Uiso 1 1 calc R . . . .
C02T C 0.4957(7) 0.0374(4) 0.8404(4) 0.0505(19) Uani 1 1 d . . . . .
H02T H 0.507819 0.034690 0.803234 0.061 Uiso 1 1 calc R . . . .
C02U C 0.5196(8) 0.6133(4) 0.8157(4) 0.060(2) Uani 1 1 d . . . . .
H02U H 0.520016 0.624610 0.854170 0.072 Uiso 1 1 calc R . . . .
C02V C 0.4158(8) 0.5743(4) 0.7309(4) 0.057(2) Uani 1 1 d . . . . .
H02V H 0.344736 0.559263 0.710891 0.068 Uiso 1 1 calc R . . . .
C02X C 0.4774(7) 0.2355(4) 0.8876(3) 0.0461(18) Uani 1 1 d . . . . .
C02Y C 1.1372(8) 0.2401(4) 0.7078(4) 0.055(2) Uani 1 1 d . . . . .
H02Y H 1.174784 0.247372 0.677014 0.066 Uiso 1 1 calc R . . . .
C02Z C 1.0570(9) 0.0224(4) 0.8456(4) 0.063(2) Uani 1 1 d . . . . .
H02Z H 1.030121 -0.019839 0.826228 0.076 Uiso 1 1 calc R . . . .
C030 C 0.6398(8) 0.5193(4) 0.9303(4) 0.057(2) Uani 1 1 d . . . . .
H030 H 0.587864 0.524535 0.958791 0.068 Uiso 1 1 calc R . . . .
C031 C 0.9790(8) 1.0233(4) 0.6266(4) 0.061(2) Uani 1 1 d . . . . .
H031 H 0.991173 1.063309 0.618457 0.073 Uiso 1 1 calc R . . . .
C032 C 0.8365(8) -0.0134(5) 0.9605(4) 0.062(2) Uani 1 1 d . . . . .
H032 H 0.849453 -0.052477 0.968164 0.075 Uiso 1 1 calc R . . . .
C033 C 0.5243(7) 0.4133(4) 0.7664(4) 0.053(2) Uani 1 1 d . . . . .
H033 H 0.541069 0.451861 0.793895 0.063 Uiso 1 1 calc R . . . .
C034 C 1.0974(9) 0.6623(4) 0.5721(4) 0.062(2) Uani 1 1 d . . . . .
H034 H 1.134642 0.627132 0.552728 0.074 Uiso 1 1 calc R . . . .
C035 C 1.1105(7) 0.8596(4) 0.7373(3) 0.0455(18) Uani 1 1 d . . . . .
H035 H 1.148530 0.863014 0.705531 0.055 Uiso 1 1 calc R . . . .
C036 C 0.5039(7) 0.0965(4) 0.8773(3) 0.0479(19) Uani 1 1 d . . . . .
C037 C 0.8403(8) 0.5349(4) 0.6050(4) 0.056(2) Uani 1 1 d . . . . .
H037 H 0.884782 0.572805 0.603051 0.067 Uiso 1 1 calc R . . . .
C038 C 1.0575(8) 0.6321(5) 0.8164(4) 0.061(2) Uani 1 1 d . . . . .
H038 H 1.119446 0.636378 0.842217 0.073 Uiso 1 1 calc R . . . .
C039 C 0.4893(8) 0.0991(4) 0.9328(4) 0.055(2) Uani 1 1 d . . . . .
H039 H 0.497861 0.138929 0.959262 0.066 Uiso 1 1 calc R . . . .
F03A F 0.7568(12) 0.5818(5) 0.4955(3) 0.171(5) Uani 1 1 d . . . . .
C03B C 0.7122(8) 0.4233(4) 0.6116(4) 0.058(2) Uani 1 1 d . . . . .
H03B H 0.668633 0.385106 0.613365 0.070 Uiso 1 1 calc R . . . .
C03C C 1.1922(7) 0.0951(4) 0.9075(4) 0.054(2) Uani 1 1 d . . . . .
H03C H 1.258963 0.102362 0.931026 0.065 Uiso 1 1 calc R . . . .
C03D C 0.8511(9) 0.1014(4) 0.9874(4) 0.060(2) Uani 1 1 d . . . . .
H03D H 0.875332 0.140505 1.013080 0.072 Uiso 1 1 calc R . . . .
C03E C 0.4183(8) 0.5927(4) 0.7862(4) 0.063(2) Uani 1 1 d . . . . .
H03E H 0.348642 0.591085 0.804458 0.075 Uiso 1 1 calc R . . . .
C03F C 0.7932(9) 0.4226(4) 0.5729(4) 0.064(2) Uani 1 1 d . . . . .
H03F H 0.806067 0.383283 0.548578 0.076 Uiso 1 1 calc R . . . .
C03G C 0.4058(8) 0.3485(4) 0.6889(4) 0.053(2) Uani 1 1 d . . . . .
H03G H 0.342427 0.343208 0.663696 0.064 Uiso 1 1 calc R . . . .
C03H C 1.0480(8) 0.3846(4) 0.7109(4) 0.060(2) Uani 1 1 d . . . . .
H03H H 1.116062 0.386766 0.691589 0.072 Uiso 1 1 calc R . . . .
C03I C 0.2801(8) 0.1136(4) 0.7396(4) 0.055(2) Uani 1 1 d . . . . .
H03I H 0.200009 0.101563 0.739858 0.066 Uiso 1 1 calc R . . . .
C03J C 1.1358(7) 0.1467(4) 0.9015(4) 0.053(2) Uani 1 1 d . . . . .
H03J H 1.164622 0.188948 0.920092 0.064 Uiso 1 1 calc R . . . .
C03K C 0.8721(7) 0.6204(4) 0.7417(3) 0.0445(18) Uani 1 1 d . . . . .
C03L C 0.5948(7) 0.3639(4) 0.7615(3) 0.0469(18) Uani 1 1 d . . . . .
C03M C 1.0170(8) 0.7612(4) 0.5754(4) 0.059(2) Uani 1 1 d . . . . .
H03M H 0.999695 0.793203 0.558304 0.071 Uiso 1 1 calc R . . . .
C03N C 0.4583(7) 0.7181(4) 0.6023(4) 0.0480(18) Uani 1 1 d . . . . .
C03P C 0.7858(8) 0.5631(4) 0.8836(3) 0.054(2) Uani 1 1 d . . . . .
H03P H 0.833634 0.598836 0.879318 0.065 Uiso 1 1 calc R . . . .
C03Q C 0.9379(8) 0.9090(4) 0.5964(4) 0.057(2) Uani 1 1 d . . . . .
H03Q H 0.917959 0.871646 0.568013 0.069 Uiso 1 1 calc R . . . .
C03R C 0.6405(7) 0.8996(4) 0.5941(3) 0.0488(19) Uani 1 1 d . . . . .
C03S C 1.0282(9) 0.3754(5) 1.0016(5) 0.074(3) Uani 1 1 d . . . . .
H03S H 1.032379 0.411856 1.031623 0.089 Uiso 1 1 calc R . . . .
C03T C 0.8556(8) 0.4776(4) 0.5687(4) 0.058(2) Uani 1 1 d . . . . .
H03T H 0.908919 0.476121 0.541032 0.070 Uiso 1 1 calc R . . . .
C03U C 0.4629(8) 0.0439(4) 0.9483(4) 0.057(2) Uani 1 1 d . . . . .
H03U H 0.450292 0.046359 0.985332 0.069 Uiso 1 1 calc R . . . .
C03V C 1.0248(9) 0.3167(5) 1.0098(4) 0.071(3) Uani 1 1 d . . . . .
H03V H 1.029116 0.312385 1.045830 0.085 Uiso 1 1 calc R . . . .
C03W C 0.7931(7) 0.1010(4) 0.9378(4) 0.050(2) Uani 1 1 d . . . . .
C03X C 0.9427(10) 0.3660(5) 0.6831(4) 0.066(3) Uani 1 1 d . . . . .
H03X H 0.938847 0.355224 0.644539 0.079 Uiso 1 1 calc R . . . .
C03Y C 0.4486(8) 0.6135(4) 0.5130(4) 0.065(2) Uani 1 1 d . . . . .
H03Y H 0.448297 0.577839 0.482525 0.078 Uiso 1 1 calc R . . . .
C03Z C 1.1925(7) 0.2590(4) 0.7582(4) 0.052(2) Uani 1 1 d . . . . .
H03Z H 1.268579 0.279504 0.762044 0.063 Uiso 1 1 calc R . . . .
C040 C 0.3969(9) 0.3514(5) 0.9380(4) 0.069(3) Uani 1 1 d . . . . .
H040 H 0.364009 0.389078 0.955125 0.083 Uiso 1 1 calc R . . . .
C041 C 0.5687(7) 0.3083(4) 0.7218(3) 0.0499(19) Uani 1 1 d . . . . .
H041 H 0.615196 0.274330 0.719260 0.060 Uiso 1 1 calc R . . . .
C042 C 0.6762(7) 0.9559(4) 0.6323(3) 0.0460(18) Uani 1 1 d . . . . .
H042 H 0.728695 0.956631 0.661436 0.055 Uiso 1 1 calc R . . . .
C044 C 0.2640(8) 0.7213(4) 0.7553(4) 0.056(2) Uani 1 1 d . . . . .
H044 H 0.188554 0.699943 0.750085 0.067 Uiso 1 1 calc R . . . .
C045 C 0.4538(7) 0.6556(4) 0.6086(4) 0.054(2) Uani 1 1 d . . . . .
H045 H 0.454117 0.648929 0.643955 0.065 Uiso 1 1 calc R . . . .
C046 C 0.5129(8) 0.9528(4) 0.5495(4) 0.055(2) Uani 1 1 d . . . . .
H046 H 0.454398 0.951628 0.522797 0.066 Uiso 1 1 calc R . . . .
C047 C 0.9421(7) 0.5697(4) 0.7384(4) 0.054(2) Uani 1 1 d . . . . .
H047 H 0.926001 0.531330 0.710661 0.065 Uiso 1 1 calc R . . . .
C048 C 0.7112(8) 0.5703(4) 0.9248(3) 0.051(2) Uani 1 1 d . . . . .
H048 H 0.708964 0.610714 0.949627 0.061 Uiso 1 1 calc R . . . .
C049 C 0.8719(10) 0.0450(5) 0.9978(4) 0.071(3) Uani 1 1 d . . . . .
H049 H 0.911033 0.045400 1.030963 0.085 Uiso 1 1 calc R . . . .
C04A C 1.1526(8) 0.0347(4) 0.8803(3) 0.054(2) Uani 1 1 d . . . . .
H04A H 1.191792 0.000299 0.885305 0.065 Uiso 1 1 calc R . . . .
C04B C 0.9563(8) 0.9677(5) 0.5847(4) 0.059(2) Uani 1 1 d . . . . .
H04B H 0.953510 0.970069 0.548017 0.071 Uiso 1 1 calc R . . . .
C04C C 0.3143(8) 0.7402(4) 0.8060(4) 0.059(2) Uani 1 1 d . . . . .
H04C H 0.274154 0.732120 0.835857 0.070 Uiso 1 1 calc R . . . .
C04D C 1.0540(8) 0.4001(4) 0.7669(4) 0.061(2) Uani 1 1 d . . . . .
H04D H 1.126362 0.412439 0.786189 0.073 Uiso 1 1 calc R . . . .
C04E C 0.8994(7) 0.6757(4) 0.7815(3) 0.0482(19) Uani 1 1 d . . . . .
H04E H 0.855500 0.710525 0.783569 0.058 Uiso 1 1 calc R . . . .
C04F C 1.0339(7) 0.5762(5) 0.7757(5) 0.063(3) Uani 1 1 d . . . . .
H04F H 1.080402 0.542315 0.773236 0.076 Uiso 1 1 calc R . . . .
C04G C 0.4485(8) 0.6740(4) 0.5050(4) 0.059(2) Uani 1 1 d . . . . .
H04G H 0.444983 0.679456 0.469348 0.071 Uiso 1 1 calc R . . . .
C04H C 0.4537(7) 0.7261(4) 0.5496(4) 0.055(2) Uani 1 1 d . . . . .
H04H H 0.454175 0.767589 0.544357 0.065 Uiso 1 1 calc R . . . .
C04I C 0.7634(7) 0.0445(4) 0.9000(4) 0.054(2) Uani 1 1 d . . . . .
H04I H 0.730157 0.043940 0.865566 0.065 Uiso 1 1 calc R . . . .
C04J C 0.6336(8) 1.0117(4) 0.6271(3) 0.0507(19) Uani 1 1 d . . . . .
H04J H 0.660077 1.051069 0.651916 0.061 Uiso 1 1 calc R . . . .
C04K C 0.5536(8) 1.0100(4) 0.5862(4) 0.054(2) Uani 1 1 d . . . . .
H04K H 0.525726 1.048346 0.583014 0.065 Uiso 1 1 calc R . . . .
C04L C 0.4838(9) 0.2579(5) 0.9449(4) 0.065(3) Uani 1 1 d . . . . .
H04L H 0.513758 0.232844 0.966266 0.078 Uiso 1 1 calc R . . . .
C04M C 1.0682(9) 0.7094(5) 0.5466(4) 0.069(3) Uani 1 1 d . . . . .
H04M H 1.083952 0.705292 0.509640 0.083 Uiso 1 1 calc R . . . .
C04N C 0.7824(8) -0.0121(5) 0.9126(4) 0.061(2) Uani 1 1 d . . . . .
H04N H 0.757164 -0.051263 0.887043 0.073 Uiso 1 1 calc R . . . .
C04O C 0.4293(8) 0.4053(4) 0.7303(4) 0.062(2) Uani 1 1 d . . . . .
H04O H 0.380313 0.438199 0.733605 0.074 Uiso 1 1 calc R . . . .
C04P C 1.0256(9) 0.3819(4) 0.9495(5) 0.073(3) Uani 1 1 d . . . . .
H04P H 1.031486 0.423252 0.943639 0.088 Uiso 1 1 calc R . . . .
C04Q C 0.4491(9) 0.6048(5) 0.5641(4) 0.067(3) Uani 1 1 d . . . . .
H04Q H 0.446234 0.562949 0.568686 0.081 Uiso 1 1 calc R . . . .
C04R C 0.4542(8) -0.0146(5) 0.9116(4) 0.060(2) Uani 1 1 d . . . . .
H04R H 0.437606 -0.052120 0.923358 0.072 Uiso 1 1 calc R . . . .
C04S C 0.4467(9) 0.3156(5) 0.9696(4) 0.067(3) Uani 1 1 d . . . . .
H04S H 0.454539 0.331435 1.007965 0.080 Uiso 1 1 calc R . . . .
C04T C 1.0077(7) 0.2684(4) 0.9136(3) 0.0476(18) Uani 1 1 d . . . . .
C04U C 1.0148(7) 0.3299(4) 0.9060(4) 0.057(2) Uani 1 1 d . . . . .
H04U H 1.012095 0.335412 0.870277 0.069 Uiso 1 1 calc R . . . .
C04X C 0.7483(13) 0.8652(9) 0.4481(7) 0.123(6) Uani 1 1 d . . . . .
H04T H 0.710992 0.855008 0.479674 0.147 Uiso 1 1 calc R . . . .
H04V H 0.700499 0.842818 0.415043 0.147 Uiso 1 1 calc R . . . .
Sb1 Sb 0.2566(5) 0.5431(2) 0.92015(18) 0.0656(9) Uani 0.5 1 d . U P A 2
Sb0A Sb 0.2379(5) 0.5289(2) 0.9112(2) 0.0767(9) Uani 0.5 1 d . U P B 1
F2 F 0.088(2) 0.5154(11) 0.9091(7) 0.081(3) Uani 0.5 1 d . U P B 1
F3 F 0.2610(13) 0.6138(8) 0.9044(7) 0.082(3) Uani 0.5 1 d . U P A 2
F4 F 0.2350(14) 0.5755(7) 0.9913(6) 0.081(3) Uani 0.5 1 d . U P A 2
F5 F 0.2392(12) 0.5186(7) 0.8362(6) 0.077(3) Uani 0.5 1 d . U P B 1
F7 F 0.2724(14) 0.4634(7) 0.9309(7) 0.093(3) Uani 0.5 1 d . U P B 1
F8 F 0.3999(13) 0.5487(8) 0.9382(7) 0.096(3) Uani 0.5 1 d . U P A 2
F1AA F 0.2227(15) 0.4397(8) 0.9024(8) 0.106(3) Uani 0.5 1 d . U P A 2
F0AA F 0.2046(15) 0.5456(8) 0.9861(7) 0.090(3) Uani 0.5 1 d . U P B 1
F9 F 0.2159(14) 0.6227(8) 0.9183(6) 0.082(3) Uani 0.5 1 d . U P B 1
F11 F 0.088(2) 0.5206(12) 0.8925(7) 0.082(3) Uani 0.5 1 d . U P A 2
F18 F 0.4028(14) 0.5775(8) 0.9207(7) 0.100(3) Uani 0.5 1 d . U P B 1
F2AA F 0.2889(14) 0.5005(7) 0.8462(6) 0.087(3) Uani 0.5 1 d . U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os01 P009 2.4390(19) . ?
Os01 P00B 2.4305(19) . ?
Os01 N00P 2.086(6) . ?
Os01 C00X 2.010(7) . ?
Os01 C00Z 2.047(7) . ?
Os01 C016 1.947(9) . ?
Os02 P00A 2.4140(19) . ?
Os02 P00C 2.429(2) . ?
Os02 N00T 2.144(6) . ?
Os02 C011 2.040(8) . ?
Os02 C014 1.987(7) . ?
Os02 C01J 1.926(9) . ?
Sb03 F00G 1.878(5) . ?
Sb03 F00N 1.883(6) . ?
Sb03 F00Q 1.874(6) . ?
Sb03 F00U 1.842(6) . ?
Sb03 F00W 1.874(6) . ?
Sb03 F01D 1.855(7) . ?
Sb04 F00F 1.877(5) . ?
Sb04 F00I 1.878(5) . ?
Sb04 F00L 1.867(5) . ?
Sb04 F00M 1.885(6) . ?
Sb04 F00O 1.861(6) . ?
Sb04 F00S 1.853(7) . ?
Sb00 F017 1.897(7) . ?
Sb00 F01R 1.865(7) . ?
Sb00 F01S 1.840(8) . ?
Sb00 F02P 1.865(8) . ?
Sb00 F02Q 1.877(8) . ?
Sb00 F03A 1.794(7) . ?
P007 C00Y 1.822(7) . ?
P007 C018 1.798(8) . ?
P007 C01C 1.791(8) . ?
P007 C03L 1.804(9) . ?
P008 C00V 1.821(7) . ?
P008 C012 1.809(8) . ?
P008 C01I 1.783(9) . ?
P008 C03K 1.791(8) . ?
P009 C019 1.831(8) . ?
P009 C01Y 1.820(7) . ?
P009 C03N 1.804(9) . ?
P00A C02K 1.810(8) . ?
P00A C02X 1.828(8) . ?
P00A C036 1.832(8) . ?
P00B C01T 1.817(8) . ?
P00B C01V 1.835(7) . ?
P00B C02L 1.830(8) . ?
P00C C01X 1.820(7) . ?
P00C C026 1.838(8) . ?
P00C C04T 1.802(9) . ?
Cl00 C04X 1.795(18) . ?
Cl1 C04X 1.757(14) . ?
O00H C01J 1.148(10) . ?
O00J C016 1.148(10) . ?
N00K N00P 1.330(9) . ?
N00K C013 1.357(10) . ?
N00P C03R 1.442(10) . ?
N00R N00T 1.297(10) . ?
N00R C023 1.345(10) . ?
N00T C03W 1.430(10) . ?
C00V C00X 1.415(11) . ?
C00V C01E 1.389(11) . ?
C00Y C014 1.432(11) . ?
C00Y C01A 1.378(11) . ?
C00Z C013 1.384(11) . ?
C00Z C01E 1.419(10) . ?
C011 C01A 1.431(11) . ?
C011 C023 1.380(12) . ?
C012 C01U 1.385(12) . ?
C012 C024 1.392(12) . ?
C015 C028 1.389(12) . ?
C015 C02S 1.387(13) . ?
C018 C02D 1.387(12) . ?
C018 C02N 1.397(13) . ?
C019 C022 1.422(12) . ?
C019 C02C 1.386(13) . ?
C01B C01H 1.406(12) . ?
C01B C01P 1.365(13) . ?
C01C C01K 1.386(11) . ?
C01C C02F 1.388(11) . ?
C01F C01V 1.392(12) . ?
C01F C02A 1.393(12) . ?
C01G C022 1.401(12) . ?
C01G C02B 1.382(13) . ?
C01H C01T 1.394(11) . ?
C01I C02E 1.389(11) . ?
C01I C037 1.422(12) . ?
C01K C03P 1.376(12) . ?
C01L C01M 1.391(11) . ?
C01L C02Y 1.388(13) . ?
C01M C01X 1.400(12) . ?
C01N C01O 1.378(12) . ?
C01N C034 1.375(13) . ?
C01O C02L 1.404(11) . ?
C01P C027 1.405(12) . ?
C01Q C03G 1.374(13) . ?
C01Q C041 1.374(13) . ?
C01T C035 1.416(11) . ?
C01U C02V 1.390(12) . ?
C01V C03Q 1.402(12) . ?
C01W C01Y 1.390(13) . ?
C01W C01Z 1.403(12) . ?
C01X C020 1.395(12) . ?
C01Y C02R 1.412(12) . ?
C01Z C04C 1.392(14) . ?
C020 C03Z 1.379(12) . ?
C021 C02T 1.401(11) . ?
C021 C04R 1.399(13) . ?
C024 C02U 1.390(12) . ?
C025 C03V 1.380(14) . ?
C025 C04T 1.405(12) . ?
C026 C02O 1.367(12) . ?
C026 C03J 1.407(12) . ?
C027 C035 1.364(12) . ?
C028 C02K 1.383(11) . ?
C029 C02I 1.378(12) . ?
C029 C02X 1.396(11) . ?
C02A C031 1.369(14) . ?
C02B C02M 1.379(13) . ?
C02C C02M 1.395(12) . ?
C02D C03X 1.383(13) . ?
C02E C03B 1.380(12) . ?
C02F C030 1.378(13) . ?
C02G C038 1.376(14) . ?
C02G C04E 1.398(12) . ?
C02H C02K 1.419(12) . ?
C02H C03I 1.386(13) . ?
C02I C040 1.386(14) . ?
C02J C03R 1.408(12) . ?
C02J C046 1.374(12) . ?
C02L C03M 1.393(12) . ?
C02N C04D 1.370(12) . ?
C02O C02Z 1.395(12) . ?
C02R C044 1.399(12) . ?
C02S C03I 1.378(13) . ?
C02T C036 1.385(12) . ?
C02U C03E 1.364(15) . ?
C02V C03E 1.366(14) . ?
C02X C04L 1.416(13) . ?
C02Y C03Z 1.375(14) . ?
C02Z C04A 1.373(14) . ?
C030 C048 1.370(12) . ?
C031 C04B 1.397(14) . ?
C032 C049 1.404(15) . ?
C032 C04N 1.372(14) . ?
C033 C03L 1.402(12) . ?
C033 C04O 1.397(14) . ?
C034 C04M 1.415(15) . ?
C036 C039 1.419(12) . ?
C037 C03T 1.384(13) . ?
C038 C04F 1.388(15) . ?
C039 C03U 1.376(12) . ?
C03B C03F 1.384(14) . ?
C03C C03J 1.400(12) . ?
C03C C04A 1.359(13) . ?
C03D C03W 1.420(13) . ?
C03D C049 1.369(13) . ?
C03F C03T 1.377(14) . ?
C03G C04O 1.407(14) . ?
C03H C03X 1.381(15) . ?
C03H C04D 1.382(14) . ?
C03K C047 1.425(12) . ?
C03K C04E 1.372(12) . ?
C03L C041 1.373(12) . ?
C03M C04M 1.379(13) . ?
C03N C045 1.414(11) . ?
C03N C04H 1.402(13) . ?
C03P C048 1.371(12) . ?
C03Q C04B 1.392(12) . ?
C03R C042 1.384(12) . ?
C03S C03V 1.351(15) . ?
C03S C04P 1.375(17) . ?
C03U C04R 1.372(14) . ?
C03W C04I 1.368(13) . ?
C03Y C04G 1.388(13) . ?
C03Y C04Q 1.366(15) . ?
C040 C04S 1.411(15) . ?
C042 C04J 1.395(11) . ?
C044 C04C 1.356(14) . ?
C045 C04Q 1.368(14) . ?
C046 C04K 1.392(13) . ?
C047 C04F 1.390(13) . ?
C04G C04H 1.384(13) . ?
C04I C04N 1.393(12) . ?
C04J C04K 1.377(13) . ?
C04L C04S 1.374(14) . ?
C04P C04U 1.364(14) . ?
C04T C04U 1.403(12) . ?
Sb1 F3 1.692(19) . ?
Sb1 F4 1.804(14) . ?
Sb1 F8 1.713(17) . ?
Sb1 F1AA 2.187(18) . ?
Sb1 F11 2.06(3) . ?
Sb1 F2AA 1.943(15) . ?
Sb0A F2 1.75(3) . ?
Sb0A F5 1.872(14) . ?
Sb0A F7 1.714(15) . ?
Sb0A F0AA 1.909(17) . ?
Sb0A F9 2.055(18) . ?
Sb0A F18 2.093(17) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P00B Os01 P009 177.60(6) . . ?
N00P Os01 P009 85.04(18) . . ?
N00P Os01 P00B 92.56(18) . . ?
C00X Os01 P009 89.7(2) . . ?
C00X Os01 P00B 92.4(2) . . ?
C00X Os01 N00P 152.7(3) . . ?
C00X Os01 C00Z 77.9(3) . . ?
C00Z Os01 P009 91.6(2) . . ?
C00Z Os01 P00B 87.8(2) . . ?
C00Z Os01 N00P 75.5(3) . . ?
C016 Os01 P009 92.1(2) . . ?
C016 Os01 P00B 88.5(2) . . ?
C016 Os01 N00P 106.1(3) . . ?
C016 Os01 C00X 100.8(3) . . ?
C016 Os01 C00Z 176.0(3) . . ?
P00A Os02 P00C 176.57(6) . . ?
N00T Os02 P00A 90.81(19) . . ?
N00T Os02 P00C 86.05(19) . . ?
C011 Os02 P00A 89.6(2) . . ?
C011 Os02 P00C 90.9(2) . . ?
C011 Os02 N00T 74.5(3) . . ?
C014 Os02 P00A 92.0(2) . . ?
C014 Os02 P00C 91.4(2) . . ?
C014 Os02 N00T 152.0(3) . . ?
C014 Os02 C011 77.7(3) . . ?
C01J Os02 P00A 87.6(2) . . ?
C01J Os02 P00C 92.1(2) . . ?
C01J Os02 N00T 108.8(3) . . ?
C01J Os02 C011 175.7(3) . . ?
C01J Os02 C014 99.1(3) . . ?
F00G Sb03 F00N 90.5(3) . . ?
F00Q Sb03 F00G 91.9(3) . . ?
F00Q Sb03 F00N 177.6(3) . . ?
F00Q Sb03 F00W 89.1(3) . . ?
F00U Sb03 F00G 89.0(3) . . ?
F00U Sb03 F00N 89.2(3) . . ?
F00U Sb03 F00Q 90.5(3) . . ?
F00U Sb03 F00W 90.5(4) . . ?
F00U Sb03 F01D 179.3(4) . . ?
F00W Sb03 F00G 178.9(3) . . ?
F00W Sb03 F00N 88.6(3) . . ?
F01D Sb03 F00G 90.5(4) . . ?
F01D Sb03 F00N 91.3(3) . . ?
F01D Sb03 F00Q 89.1(3) . . ?
F01D Sb03 F00W 90.0(4) . . ?
F00F Sb04 F00I 89.1(2) . . ?
F00F Sb04 F00M 88.0(3) . . ?
F00I Sb04 F00M 88.4(3) . . ?
F00L Sb04 F00F 177.8(3) . . ?
F00L Sb04 F00I 89.3(3) . . ?
F00L Sb04 F00M 90.4(3) . . ?
F00O Sb04 F00F 90.4(3) . . ?
F00O Sb04 F00I 178.2(3) . . ?
F00O Sb04 F00L 91.1(3) . . ?
F00O Sb04 F00M 89.8(3) . . ?
F00S Sb04 F00F 91.3(3) . . ?
F00S Sb04 F00I 90.1(3) . . ?
F00S Sb04 F00L 90.3(3) . . ?
F00S Sb04 F00M 178.4(3) . . ?
F00S Sb04 F00O 91.6(3) . . ?
F01R Sb00 F017 178.6(4) . . ?
F01R Sb00 F02P 91.7(4) . . ?
F01R Sb00 F02Q 93.2(5) . . ?
F01S Sb00 F017 87.6(4) . . ?
F01S Sb00 F01R 92.7(4) . . ?
F01S Sb00 F02P 173.4(5) . . ?
F01S Sb00 F02Q 89.9(5) . . ?
F02P Sb00 F017 88.1(4) . . ?
F02P Sb00 F02Q 85.0(5) . . ?
F02Q Sb00 F017 88.1(4) . . ?
F03A Sb00 F017 87.6(4) . . ?
F03A Sb00 F01R 91.1(4) . . ?
F03A Sb00 F01S 95.7(6) . . ?
F03A Sb00 F02P 89.1(6) . . ?
F03A Sb00 F02Q 172.8(6) . . ?
C018 P007 C00Y 106.9(3) . . ?
C018 P007 C03L 110.3(4) . . ?
C01C P007 C00Y 110.8(3) . . ?
C01C P007 C018 108.9(4) . . ?
C01C P007 C03L 107.5(4) . . ?
C03L P007 C00Y 112.4(4) . . ?
C012 P008 C00V 107.2(3) . . ?
C01I P008 C00V 112.1(4) . . ?
C01I P008 C012 109.5(4) . . ?
C01I P008 C03K 107.5(4) . . ?
C03K P008 C00V 110.8(3) . . ?
C03K P008 C012 109.7(4) . . ?
C019 P009 Os01 117.2(2) . . ?
C01Y P009 Os01 115.8(3) . . ?
C01Y P009 C019 101.3(3) . . ?
C03N P009 Os01 108.3(3) . . ?
C03N P009 C019 106.8(4) . . ?
C03N P009 C01Y 106.6(4) . . ?
C02K P00A Os02 117.8(3) . . ?
C02K P00A C02X 101.5(4) . . ?
C02K P00A C036 101.1(4) . . ?
C02X P00A Os02 113.0(3) . . ?
C02X P00A C036 111.8(4) . . ?
C036 P00A Os02 110.9(3) . . ?
C01T P00B Os01 117.2(2) . . ?
C01T P00B C01V 103.1(4) . . ?
C01T P00B C02L 100.6(4) . . ?
C01V P00B Os01 109.5(3) . . ?
C02L P00B Os01 114.8(3) . . ?
C02L P00B C01V 110.9(3) . . ?
C01X P00C Os02 116.4(3) . . ?
C01X P00C C026 103.0(3) . . ?
C026 P00C Os02 116.1(3) . . ?
C04T P00C Os02 108.6(3) . . ?
C04T P00C C01X 105.8(4) . . ?
C04T P00C C026 106.1(4) . . ?
N00P N00K C013 114.3(6) . . ?
N00K N00P Os01 117.7(5) . . ?
N00K N00P C03R 111.7(6) . . ?
C03R N00P Os01 130.0(5) . . ?
N00T N00R C023 115.6(7) . . ?
N00R N00T Os02 116.6(5) . . ?
N00R N00T C03W 113.2(6) . . ?
C03W N00T Os02 130.0(6) . . ?
C00X C00V P008 120.7(5) . . ?
C01E C00V P008 122.9(6) . . ?
C01E C00V C00X 116.2(6) . . ?
C00V C00X Os01 116.4(5) . . ?
C014 C00Y P007 121.6(6) . . ?
C01A C00Y P007 123.0(6) . . ?
C01A C00Y C014 115.3(7) . . ?
C013 C00Z Os01 115.4(6) . . ?
C013 C00Z C01E 127.4(7) . . ?
C01E C00Z Os01 117.2(6) . . ?
C01A C011 Os02 117.5(6) . . ?
C023 C011 Os02 116.2(6) . . ?
C023 C011 C01A 126.3(8) . . ?
C01U C012 P008 117.6(6) . . ?
C01U C012 C024 121.0(7) . . ?
C024 C012 P008 121.2(6) . . ?
N00K C013 C00Z 116.9(8) . . ?
C00Y C014 Os02 117.5(5) . . ?
C02S C015 C028 119.2(8) . . ?
O00J C016 Os01 178.1(7) . . ?
C02D C018 P007 121.9(7) . . ?
C02D C018 C02N 119.6(7) . . ?
C02N C018 P007 118.5(6) . . ?
C022 C019 P009 121.1(6) . . ?
C02C C019 P009 119.5(6) . . ?
C02C C019 C022 119.2(7) . . ?
C00Y C01A C011 111.9(7) . . ?
C01P C01B C01H 121.2(8) . . ?
C01K C01C P007 119.9(6) . . ?
C01K C01C C02F 119.3(7) . . ?
C02F C01C P007 120.7(6) . . ?
C00V C01E C00Z 112.2(7) . . ?
C01V C01F C02A 120.7(9) . . ?
C02B C01G C022 120.7(8) . . ?
C01T C01H C01B 119.9(7) . . ?
C02E C01I P008 120.3(6) . . ?
C02E C01I C037 119.0(8) . . ?
C037 C01I P008 120.2(6) . . ?
O00H C01J Os02 176.6(6) . . ?
C03P C01K C01C 120.0(8) . . ?
C02Y C01L C01M 120.5(8) . . ?
C01L C01M C01X 119.5(8) . . ?
C034 C01N C01O 120.3(8) . . ?
C01N C01O C02L 121.4(8) . . ?
C01B C01P C027 118.5(8) . . ?
C041 C01Q C03G 121.2(9) . . ?
C01H C01T P00B 123.7(6) . . ?
C01H C01T C035 118.9(7) . . ?
C035 C01T P00B 117.4(6) . . ?
C012 C01U C02V 118.9(8) . . ?
C01F C01V P00B 118.0(6) . . ?
C01F C01V C03Q 118.8(7) . . ?
C03Q C01V P00B 122.4(6) . . ?
C01Y C01W C01Z 119.5(8) . . ?
C01M C01X P00C 120.5(6) . . ?
C020 C01X P00C 119.7(7) . . ?
C020 C01X C01M 119.6(7) . . ?
C01W C01Y P009 122.5(6) . . ?
C01W C01Y C02R 119.7(7) . . ?
C02R C01Y P009 117.3(7) . . ?
C04C C01Z C01W 120.5(9) . . ?
C03Z C020 C01X 119.6(9) . . ?
C04R C021 C02T 119.2(9) . . ?
C01G C022 C019 118.9(8) . . ?
N00R C023 C011 117.0(8) . . ?
C02U C024 C012 118.2(8) . . ?
C03V C025 C04T 119.6(9) . . ?
C02O C026 P00C 121.2(6) . . ?
C02O C026 C03J 118.6(7) . . ?
C03J C026 P00C 120.1(6) . . ?
C035 C027 C01P 121.9(8) . . ?
C02K C028 C015 121.1(8) . . ?
C02I C029 C02X 121.6(8) . . ?
C031 C02A C01F 120.4(9) . . ?
C02M C02B C01G 120.3(8) . . ?
C019 C02C C02M 120.8(8) . . ?
C03X C02D C018 119.3(10) . . ?
C03B C02E C01I 121.0(8) . . ?
C030 C02F C01C 119.9(8) . . ?
C038 C02G C04E 120.6(9) . . ?
C03I C02H C02K 119.9(8) . . ?
C029 C02I C040 119.5(8) . . ?
C046 C02J C03R 119.9(8) . . ?
C028 C02K P00A 124.9(6) . . ?
C028 C02K C02H 118.8(8) . . ?
C02H C02K P00A 116.2(6) . . ?
C01O C02L P00B 117.4(6) . . ?
C03M C02L P00B 124.3(6) . . ?
C03M C02L C01O 118.1(7) . . ?
C02B C02M C02C 120.1(8) . . ?
C04D C02N C018 120.4(9) . . ?
C026 C02O C02Z 122.3(8) . . ?
C044 C02R C01Y 118.8(9) . . ?
C03I C02S C015 121.1(9) . . ?
C036 C02T C021 121.4(8) . . ?
C03E C02U C024 120.8(9) . . ?
C03E C02V C01U 120.2(9) . . ?
C029 C02X P00A 118.1(6) . . ?
C029 C02X C04L 118.3(8) . . ?
C04L C02X P00A 122.4(7) . . ?
C03Z C02Y C01L 119.4(7) . . ?
C04A C02Z C02O 118.2(9) . . ?
C048 C030 C02F 120.3(8) . . ?
C02A C031 C04B 119.9(8) . . ?
C04N C032 C049 117.9(8) . . ?
C04O C033 C03L 119.3(9) . . ?
C01N C034 C04M 119.3(8) . . ?
C027 C035 C01T 119.6(7) . . ?
C02T C036 P00A 117.3(6) . . ?
C02T C036 C039 118.2(7) . . ?
C039 C036 P00A 124.2(7) . . ?
C03T C037 C01I 119.5(8) . . ?
C02G C038 C04F 119.8(8) . . ?
C03U C039 C036 119.8(9) . . ?
C02E C03B C03F 119.1(8) . . ?
C04A C03C C03J 120.9(8) . . ?
C049 C03D C03W 119.6(9) . . ?
C02U C03E C02V 120.8(8) . . ?
C03T C03F C03B 121.6(9) . . ?
C01Q C03G C04O 118.7(8) . . ?
C03X C03H C04D 119.7(8) . . ?
C02S C03I C02H 119.9(9) . . ?
C03C C03J C026 118.8(8) . . ?
C047 C03K P008 119.2(7) . . ?
C04E C03K P008 122.5(6) . . ?
C04E C03K C047 118.3(8) . . ?
C033 C03L P007 118.8(7) . . ?
C041 C03L P007 121.5(6) . . ?
C041 C03L C033 119.6(8) . . ?
C04M C03M C02L 120.7(8) . . ?
C045 C03N P009 119.3(7) . . ?
C04H C03N P009 121.1(6) . . ?
C04H C03N C045 118.4(8) . . ?
C048 C03P C01K 120.4(8) . . ?
C04B C03Q C01V 119.9(9) . . ?
C02J C03R N00P 119.6(8) . . ?
C042 C03R N00P 119.6(8) . . ?
C042 C03R C02J 120.7(7) . . ?
C03V C03S C04P 119.3(10) . . ?
C03F C03T C037 119.8(8) . . ?
C04R C03U C039 121.8(8) . . ?
C03S C03V C025 121.7(10) . . ?
C03D C03W N00T 119.1(8) . . ?
C04I C03W N00T 121.2(8) . . ?
C04I C03W C03D 119.7(8) . . ?
C03H C03X C02D 120.8(9) . . ?
C04Q C03Y C04G 120.8(9) . . ?
C02Y C03Z C020 121.4(8) . . ?
C02I C040 C04S 120.1(9) . . ?
C03L C041 C01Q 120.9(8) . . ?
C03R C042 C04J 118.6(8) . . ?
C04C C044 C02R 121.8(9) . . ?
C04Q C045 C03N 120.2(9) . . ?
C02J C046 C04K 119.3(9) . . ?
C04F C047 C03K 120.3(9) . . ?
C030 C048 C03P 120.1(8) . . ?
C03D C049 C032 121.2(9) . . ?
C03C C04A C02Z 121.1(8) . . ?
C03Q C04B C031 120.2(9) . . ?
C044 C04C C01Z 119.6(8) . . ?
C02N C04D C03H 120.1(10) . . ?
C03K C04E C02G 121.0(8) . . ?
C038 C04F C047 120.0(8) . . ?
C04H C04G C03Y 119.5(9) . . ?
C04G C04H C03N 120.4(8) . . ?
C03W C04I C04N 119.3(9) . . ?
C04K C04J C042 120.5(8) . . ?
C04J C04K C046 120.8(8) . . ?
C04S C04L C02X 120.3(9) . . ?
C03M C04M C034 120.2(9) . . ?
C032 C04N C04I 122.3(10) . . ?
C033 C04O C03G 120.3(8) . . ?
C04U C04P C03S 121.0(10) . . ?
C03Y C04Q C045 120.7(9) . . ?
C03U C04R C021 119.5(8) . . ?
C04L C04S C040 119.8(9) . . ?
C025 C04T P00C 122.0(6) . . ?
C04U C04T P00C 119.1(7) . . ?
C04U C04T C025 117.7(8) . . ?
C04P C04U C04T 120.6(10) . . ?
Cl1 C04X Cl00 110.7(9) . . ?
F3 Sb1 F4 95.0(7) . . ?
F3 Sb1 F8 96.0(8) . . ?
F3 Sb1 F1AA 154.1(8) . . ?
F3 Sb1 F11 91.4(8) . . ?
F3 Sb1 F2AA 90.9(7) . . ?
F4 Sb1 F1AA 107.7(7) . . ?
F4 Sb1 F11 98.9(8) . . ?
F4 Sb1 F2AA 173.2(8) . . ?
F8 Sb1 F4 86.6(8) . . ?
F8 Sb1 F1AA 97.6(8) . . ?
F8 Sb1 F11 170.4(9) . . ?
F8 Sb1 F2AA 89.5(8) . . ?
F11 Sb1 F1AA 73.3(8) . . ?
F2AA Sb1 F1AA 67.3(7) . . ?
F2AA Sb1 F11 84.2(8) . . ?
F2 Sb0A F5 92.1(7) . . ?
F2 Sb0A F0AA 77.1(8) . . ?
F2 Sb0A F9 86.6(9) . . ?
F2 Sb0A F18 160.0(10) . . ?
F5 Sb0A F0AA 167.5(7) . . ?
F5 Sb0A F9 87.2(6) . . ?
F5 Sb0A F18 90.2(7) . . ?
F7 Sb0A F2 99.5(10) . . ?
F7 Sb0A F5 113.5(8) . . ?
F7 Sb0A F0AA 74.8(8) . . ?
F7 Sb0A F9 157.9(8) . . ?
F7 Sb0A F18 97.7(8) . . ?
F0AA Sb0A F9 86.1(7) . . ?
F0AA Sb0A F18 97.9(7) . . ?
F9 Sb0A F18 73.7(7) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_czw_mr_111_8_20220611_0m
_database_code_depnum_ccdc_archive 'CCDC 2233812'
loop_
_audit_author_name
_audit_author_address
'Zhenwei Chu'
;Department of chemistry, Southern University of Science and Technology
China
;
_audit_update_record             
;
2023-03-05 deposited with the CCDC.	2023-03-14 downloaded from the CCDC.
;
_audit_creation_date             2022-06-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C70 H63 Cl N2 O3 Os P3, Cl, 3(C H2 Cl2)'
_chemical_formula_sum            'C73 H69 Cl8 N2 O3 Os P3'
_chemical_formula_weight         1589.01
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.9751(11)
_cell_length_b                   20.5087(17)
_cell_length_c                   26.253(2)
_cell_angle_alpha                90
_cell_angle_beta                 100.951(3)
_cell_angle_gamma                90
_cell_volume                     6858.9(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8337
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      67.08
_cell_measurement_theta_min      3.43
_shelx_estimated_absorpt_T_max   0.524
_shelx_estimated_absorpt_T_min   0.383
_exptl_absorpt_coefficient_mu    7.431
_exptl_absorpt_correction_T_max  0.1642
_exptl_absorpt_correction_T_min  0.0549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1124 before and 0.0591 after correction.
The Ratio of minimum to maximum transmission is 0.3343.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3208
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            54402
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.074
_diffrn_reflns_theta_max         67.074
_diffrn_reflns_theta_min         2.753
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.11
_diffrn_source_power             0.0555
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11686
_reflns_number_total             11981
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.534
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     814
_refine_ls_number_reflns         11981
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0313
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0435P)²+8.9174P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0882
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C00Q(H00Q)
2.b Secondary CH2 refined with riding coordinates:
 C01N(H01B,H01E), C02C(H02Q,H02R), C02D(H02M,H02N), C02F(H02G,H02H), C02H(H02O,
 H02P)
2.c Aromatic/amide H refined with riding coordinates:
 C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N), C00P(H00P),
 C00R(H00R), C00U(H00U), C00X(H00X), C00Z(H00Z), C010(H010), C013(H013),
 C015(H015), C016(H016), C017(H017), C019(H019), C01A(H01A), C01C(H01C),
 C01D(H01D), C01F(H01F), C01G(H01G), C01H(H01H), C01J(H01J), C01K(H01K),
 C01L(H01L), C01M(H01M), C01O(H01O), C01P(H01P), C01Q(H01Q), C01R(H01R),
 C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W), C01X(H01X),
 C01Y(H01Y), C01Z(H01Z), C020(H020), C021(H021), C022(H022), C023(H023),
 C024(H024), C025(H025), C026(H026), C027(H027), C028(H028), C02A(H02D),
 C02B(H02E), C02E(H02F), C02G(H02I)
2.d Idealised Me refined as rotating group:
 C029(H02A,H02B,H02C), C02I(H02J,H02K,H02L)
2.e Idealised tetrahedral OH refined as rotating group:
 O00D(H00D)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os01 Os 0.71855(2) 0.72331(2) 0.61630(2) 0.02351(6) Uani 1 1 d . . . . .
Cl4 Cl 0.82377(5) 0.70989(3) 0.54637(3) 0.02802(14) Uani 1 1 d . . . . .
Cl7 Cl 0.44264(6) 0.75585(4) 0.77946(3) 0.03370(15) Uani 1 1 d . . . . .
P004 P 0.80886(6) 0.59984(3) 0.76822(3) 0.02693(15) Uani 1 1 d . . . . .
P005 P 0.61874(5) 0.63262(3) 0.57117(3) 0.02512(15) Uani 1 1 d . . . . .
P006 P 0.85057(6) 0.79805(4) 0.65358(3) 0.02628(15) Uani 1 1 d . . . . .
Cl2 Cl 0.53165(7) 0.59192(5) 0.88102(3) 0.0460(2) Uani 1 1 d . . . . .
Cl3 Cl 0.37467(7) 0.52161(4) 0.80594(4) 0.0476(2) Uani 1 1 d . . . . .
Cl1 Cl 1.13087(8) 0.76760(5) 0.84262(4) 0.0533(2) Uani 1 1 d . . . . .
Cl6 Cl 1.02620(6) 0.58893(5) 0.52975(4) 0.0505(2) Uani 1 1 d . . . . .
Cl5 Cl 0.92032(11) 0.59812(8) 0.42138(4) 0.0847(5) Uani 1 1 d . . . . .
Cl Cl 1.25813(11) 0.65396(7) 0.87516(6) 0.0814(4) Uani 1 1 d . . . . .
O00D O 0.58578(16) 0.66000(10) 0.74114(8) 0.0297(4) Uani 1 1 d . . . . .
H00D H 0.5431 0.6852 0.7515 0.044 Uiso 1 1 calc R U . . .
O00E O 0.41018(17) 0.81761(11) 0.52894(9) 0.0355(5) Uani 1 1 d . . . . .
O00F O 0.34542(18) 0.79875(12) 0.60166(9) 0.0400(5) Uani 1 1 d . . . . .
N00G N 0.5195(2) 0.78809(13) 0.60543(10) 0.0305(5) Uani 1 1 d . . . . .
N00H N 0.6082(2) 0.79026(12) 0.58337(10) 0.0282(5) Uani 1 1 d . . . . .
C00I C 0.7561(2) 0.65443(13) 0.71718(11) 0.0260(6) Uani 1 1 d . . . . .
C00J C 0.8536(3) 0.93563(16) 0.63564(13) 0.0362(7) Uani 1 1 d . . . . .
H00J H 0.8163 0.9409 0.6632 0.043 Uiso 1 1 calc R U . . .
C00K C 0.5334(2) 0.70681(16) 0.42458(12) 0.0316(6) Uani 1 1 d . . . . .
H00K H 0.5018 0.7458 0.4095 0.038 Uiso 1 1 calc R U . . .
C00L C 0.7310(2) 0.85966(14) 0.71722(12) 0.0304(6) Uani 1 1 d . . . . .
H00L H 0.6891 0.8747 0.6857 0.036 Uiso 1 1 calc R U . . .
C00M C 0.6968(3) 0.90733(16) 0.49425(13) 0.0353(7) Uani 1 1 d . . . . .
H00M H 0.7348 0.9063 0.4667 0.042 Uiso 1 1 calc R U . . .
C00N C 0.8817(2) 0.80095(14) 0.76262(12) 0.0288(6) Uani 1 1 d . . . . .
H00N H 0.9431 0.7759 0.7623 0.035 Uiso 1 1 calc R U . . .
C00O C 0.4867(2) 0.61317(14) 0.58220(12) 0.0290(6) Uani 1 1 d . . . . .
C00P C 0.6246(2) 0.59254(15) 0.46867(12) 0.0283(6) Uani 1 1 d . . . . .
H00P H 0.6557 0.5533 0.4835 0.034 Uiso 1 1 calc R U . . .
C00Q C 0.6628(2) 0.69729(14) 0.72188(11) 0.0266(6) Uani 1 1 d . . . . .
H00Q H 0.6874 0.7333 0.7469 0.032 Uiso 1 1 calc R U . . .
C00R C 0.7936(2) 0.55009(14) 0.58823(11) 0.0285(6) Uani 1 1 d . . . . .
H00R H 0.8326 0.5888 0.5860 0.034 Uiso 1 1 calc R U . . .
C00S C 0.4206(3) 0.80356(15) 0.57391(13) 0.0336(7) Uani 1 1 d . . . . .
C00T C 0.6625(3) 0.96704(16) 0.51032(13) 0.0359(7) Uani 1 1 d . . . . .
C00U C 0.6288(2) 0.49564(15) 0.58673(12) 0.0309(6) Uani 1 1 d . . . . .
H00U H 0.5546 0.4969 0.5832 0.037 Uiso 1 1 calc R U . . .
C00V C 0.8358(2) 0.63913(14) 0.83112(12) 0.0301(6) Uani 1 1 d . . . . .
C00W C 0.6845(2) 0.55333(14) 0.58327(11) 0.0273(6) Uani 1 1 d . . . . .
C00X C 0.4030(2) 0.60231(15) 0.54139(12) 0.0312(6) Uani 1 1 d . . . . .
H00X H 0.4116 0.6100 0.5068 0.037 Uiso 1 1 calc R U . . .
C00Y C 0.8761(2) 0.87365(15) 0.62000(12) 0.0321(6) Uani 1 1 d . . . . .
C00Z C 0.5510(2) 0.69880(15) 0.47779(12) 0.0306(6) Uani 1 1 d . . . . .
H00Z H 0.5316 0.7324 0.4991 0.037 Uiso 1 1 calc R U . . .
C010 C 0.4719(2) 0.60211(15) 0.63306(12) 0.0312(6) Uani 1 1 d . . . . .
H010 H 0.5281 0.6097 0.6614 0.037 Uiso 1 1 calc R U . . .
C011 C 0.6209(2) 0.85047(14) 0.55851(11) 0.0283(6) Uani 1 1 d . . . . .
C012 C 0.5972(2) 0.64139(15) 0.50049(11) 0.0279(6) Uani 1 1 d . . . . .
C013 C 0.5309(2) 0.75422(14) 0.65238(11) 0.0294(6) Uani 1 1 d . . . . .
H013 H 0.4760 0.7508 0.6716 0.035 Uiso 1 1 calc R U . . .
C014 C 0.8230(2) 0.82397(14) 0.71624(11) 0.0285(6) Uani 1 1 d . . . . .
C015 C 0.6654(3) 0.50467(16) 0.72812(13) 0.0358(7) Uani 1 1 d . . . . .
H015 H 0.6646 0.5250 0.6955 0.043 Uiso 1 1 calc R U . . .
C016 C 0.6762(2) 0.84928(15) 0.51794(12) 0.0315(6) Uani 1 1 d . . . . .
H016 H 0.6998 0.8090 0.5065 0.038 Uiso 1 1 calc R U . . .
C017 C 0.8512(2) 0.81438(15) 0.80941(12) 0.0320(6) Uani 1 1 d . . . . .
H017 H 0.8921 0.7988 0.8409 0.038 Uiso 1 1 calc R U . . .
C018 C 0.9286(2) 0.56536(15) 0.75426(11) 0.0310(6) Uani 1 1 d . . . . .
C019 C 0.7949(2) 0.65973(13) 0.67290(11) 0.0258(6) Uani 1 1 d . . . . .
H019 H 0.8545 0.6354 0.6679 0.031 Uiso 1 1 calc R U . . .
C01A C 0.3068(2) 0.58035(16) 0.55075(13) 0.0347(7) Uani 1 1 d . . . . .
H01A H 0.2502 0.5731 0.5225 0.042 Uiso 1 1 calc R U . . .
C01B C 0.7232(2) 0.53168(14) 0.77318(12) 0.0311(6) Uani 1 1 d . . . . .
C01C C 0.5864(2) 0.90985(15) 0.57501(12) 0.0319(6) Uani 1 1 d . . . . .
H01C H 0.5489 0.9110 0.6028 0.038 Uiso 1 1 calc R U . . .
C01D C 1.0190(3) 0.71074(16) 0.65023(12) 0.0322(6) Uani 1 1 d . . . . .
H01D H 0.9687 0.6826 0.6303 0.039 Uiso 1 1 calc R U . . .
C01E C 0.9869(2) 0.76938(15) 0.66859(12) 0.0310(6) Uani 1 1 d . . . . .
C01F C 1.0632(3) 0.81065(17) 0.69728(12) 0.0358(7) Uani 1 1 d . . . . .
H01F H 1.0428 0.8517 0.7088 0.043 Uiso 1 1 calc R U . . .
C01G C 0.9348(3) 0.63645(18) 0.86279(13) 0.0401(7) Uani 1 1 d . . . . .
H01G H 0.9901 0.6138 0.8514 0.048 Uiso 1 1 calc R U . . .
C01H C 0.7552(2) 0.67239(15) 0.84868(12) 0.0314(6) Uani 1 1 d . . . . .
H01H H 0.6872 0.6745 0.8275 0.038 Uiso 1 1 calc R U . . .
C01I C 0.6273(2) 0.72631(13) 0.66856(12) 0.0268(6) Uani 1 1 d . . . . .
C01J C 0.6069(3) 0.96717(15) 0.55078(13) 0.0347(7) Uani 1 1 d . . . . .
H01J H 0.5825 1.0074 0.5620 0.042 Uiso 1 1 calc R U . . .
C01K C 1.1676(3) 0.79200(19) 0.70889(13) 0.0410(8) Uani 1 1 d . . . . .
H01K H 1.2181 0.8196 0.7293 0.049 Uiso 1 1 calc R U . . .
C01L C 0.6066(2) 0.60118(16) 0.41506(12) 0.0326(6) Uani 1 1 d . . . . .
H01L H 0.6252 0.5677 0.3935 0.039 Uiso 1 1 calc R U . . .
C01M C 0.9317(3) 0.50034(16) 0.73936(12) 0.0361(7) Uani 1 1 d . . . . .
H01M H 0.8716 0.4734 0.7379 0.043 Uiso 1 1 calc R U . . .
C01N C 0.2378(3) 0.80961(17) 0.57335(14) 0.0390(7) Uani 1 1 d . . . . .
H01B H 0.2384 0.8454 0.5481 0.047 Uiso 1 1 calc R U . . .
H01E H 0.1937 0.8238 0.5982 0.047 Uiso 1 1 calc R U . . .
C01O C 0.8857(3) 0.99046(17) 0.61112(15) 0.0450(8) Uani 1 1 d . . . . .
H01O H 0.8691 1.0329 0.6216 0.054 Uiso 1 1 calc R U . . .
C01P C 0.6816(3) 0.43640(15) 0.59541(12) 0.0346(7) Uani 1 1 d . . . . .
H01P H 0.6433 0.3975 0.5980 0.042 Uiso 1 1 calc R U . . .
C01Q C 0.7230(3) 0.50232(16) 0.82105(13) 0.0370(7) Uani 1 1 d . . . . .
H01Q H 0.7622 0.5208 0.8519 0.044 Uiso 1 1 calc R U . . .
C01R C 0.5615(2) 0.65827(16) 0.39296(12) 0.0328(6) Uani 1 1 d . . . . .
H01R H 0.5500 0.6642 0.3564 0.039 Uiso 1 1 calc R U . . .
C01S C 0.7012(2) 0.87302(15) 0.76422(13) 0.0337(7) Uani 1 1 d . . . . .
H01S H 0.6395 0.8977 0.7648 0.040 Uiso 1 1 calc R U . . .
C01T C 1.1987(3) 0.73272(19) 0.69071(14) 0.0417(8) Uani 1 1 d . . . . .
H01T H 1.2702 0.7197 0.6987 0.050 Uiso 1 1 calc R U . . .
C01U C 1.1245(3) 0.69286(17) 0.66080(13) 0.0380(7) Uani 1 1 d . . . . .
H01U H 1.1458 0.6531 0.6474 0.046 Uiso 1 1 calc R U . . .
C01V C 1.0179(3) 0.60444(16) 0.75689(13) 0.0365(7) Uani 1 1 d . . . . .
H01V H 1.0158 0.6491 0.7662 0.044 Uiso 1 1 calc R U . . .
C01W C 0.6648(3) 0.44562(16) 0.82307(14) 0.0413(8) Uani 1 1 d . . . . .
H01W H 0.6638 0.4256 0.8556 0.050 Uiso 1 1 calc R U . . .
C01X C 0.7742(3) 0.70229(16) 0.89674(13) 0.0344(7) Uani 1 1 d . . . . .
H01X H 0.7191 0.7249 0.9084 0.041 Uiso 1 1 calc R U . . .
C01Y C 0.7611(3) 0.85055(16) 0.81030(12) 0.0357(7) Uani 1 1 d . . . . .
H01Y H 0.7406 0.8599 0.8424 0.043 Uiso 1 1 calc R U . . .
C01Z C 0.9530(3) 0.6667(2) 0.91098(14) 0.0442(8) Uani 1 1 d . . . . .
H01Z H 1.0208 0.6648 0.9323 0.053 Uiso 1 1 calc R U . . .
C020 C 0.6086(3) 0.44767(17) 0.73104(14) 0.0412(8) Uani 1 1 d . . . . .
H020 H 0.5696 0.4289 0.7002 0.049 Uiso 1 1 calc R U . . .
C021 C 0.8730(3) 0.69961(17) 0.92811(12) 0.0363(7) Uani 1 1 d . . . . .
H021 H 0.8856 0.7202 0.9611 0.044 Uiso 1 1 calc R U . . .
C022 C 0.9309(3) 0.86679(18) 0.57915(13) 0.0422(8) Uani 1 1 d . . . . .
H022 H 0.9455 0.8245 0.5676 0.051 Uiso 1 1 calc R U . . .
C023 C 0.7896(3) 0.43387(16) 0.60032(13) 0.0367(7) Uani 1 1 d . . . . .
H023 H 0.8254 0.3934 0.6064 0.044 Uiso 1 1 calc R U . . .
C024 C 1.0232(3) 0.47478(18) 0.72653(14) 0.0420(8) Uani 1 1 d . . . . .
H024 H 1.0249 0.4308 0.7153 0.050 Uiso 1 1 calc R U . . .
C025 C 0.8451(3) 0.49073(16) 0.59639(12) 0.0342(7) Uani 1 1 d . . . . .
H025 H 0.9192 0.4890 0.5993 0.041 Uiso 1 1 calc R U . . .
C026 C 0.3760(3) 0.58018(16) 0.64239(13) 0.0359(7) Uani 1 1 d . . . . .
H026 H 0.3667 0.5728 0.6770 0.043 Uiso 1 1 calc R U . . .
C027 C 0.2934(2) 0.56905(16) 0.60114(14) 0.0358(7) Uani 1 1 d . . . . .
H027 H 0.2279 0.5537 0.6075 0.043 Uiso 1 1 calc R U . . .
C028 C 0.9638(3) 0.9213(2) 0.55557(15) 0.0491(9) Uani 1 1 d . . . . .
H028 H 1.0019 0.9163 0.5283 0.059 Uiso 1 1 calc R U . . .
C029 C 0.6876(3) 1.02993(17) 0.48519(15) 0.0450(8) Uani 1 1 d . . . . .
H02A H 0.6541 1.0297 0.4484 0.067 Uiso 1 1 calc R U . . .
H02B H 0.7638 1.0339 0.4882 0.067 Uiso 1 1 calc R U . . .
H02C H 0.6613 1.0669 0.5026 0.067 Uiso 1 1 calc R U . . .
C02A C 0.6083(3) 0.41818(16) 0.77808(15) 0.0409(8) Uani 1 1 d . . . . .
H02D H 0.5695 0.3792 0.7797 0.049 Uiso 1 1 calc R U . . .
C02B C 1.1094(3) 0.57774(19) 0.74591(14) 0.0413(8) Uani 1 1 d . . . . .
H02E H 1.1710 0.6036 0.7492 0.050 Uiso 1 1 calc R U . . .
C02C C 0.9065(3) 0.57997(18) 0.48473(13) 0.0390(7) Uani 1 1 d . . . . .
H02Q H 0.8811 0.5346 0.4861 0.047 Uiso 1 1 calc R U . . .
H02R H 0.8530 0.6093 0.4948 0.047 Uiso 1 1 calc R U . . .
C02D C 0.4677(3) 0.58603(17) 0.81532(14) 0.0393(7) Uani 1 1 d . . . . .
H02M H 0.5207 0.5784 0.7933 0.047 Uiso 1 1 calc R U . . .
H02N H 0.4317 0.6277 0.8044 0.047 Uiso 1 1 calc R U . . .
C02E C 0.9415(3) 0.98302(19) 0.57158(15) 0.0491(9) Uani 1 1 d . . . . .
H02F H 0.9644 1.0203 0.5554 0.059 Uiso 1 1 calc R U . . .
C02F C 0.1886(4) 0.7500(2) 0.54478(15) 0.0571(10) Uani 1 1 d . . . . .
H02G H 0.2104 0.7117 0.5672 0.068 Uiso 1 1 calc R U . . .
H02H H 0.1116 0.7541 0.5413 0.068 Uiso 1 1 calc R U . . .
C02G C 1.1111(3) 0.51343(19) 0.73019(14) 0.0432(8) Uani 1 1 d . . . . .
H02I H 1.1736 0.4958 0.7218 0.052 Uiso 1 1 calc R U . . .
C02H C 1.2595(4) 0.7370(3) 0.8622(2) 0.0630(11) Uani 1 1 d . . . . .
H02O H 1.3000 0.7450 0.8344 0.076 Uiso 1 1 calc R U . . .
H02P H 1.2947 0.7605 0.8937 0.076 Uiso 1 1 calc R U . . .
C02I C 0.2105(4) 0.7347(2) 0.4925(2) 0.0660(12) Uani 1 1 d . . . . .
H02J H 0.2070 0.7748 0.4719 0.099 Uiso 1 1 calc R U . . .
H02K H 0.1581 0.7036 0.4750 0.099 Uiso 1 1 calc R U . . .
H02L H 0.2807 0.7156 0.4960 0.099 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os01 Cl4 2.5025(7) . ?
Os01 P005 2.4409(7) . ?
Os01 P006 2.3674(8) . ?
Os01 N00H 2.052(3) . ?
Os01 C019 2.081(3) . ?
Os01 C01I 1.976(3) . ?
P004 C00I 1.780(3) . ?
P004 C00V 1.811(3) . ?
P004 C018 1.807(3) . ?
P004 C01B 1.806(3) . ?
P005 C00O 1.835(3) . ?
P005 C00W 1.836(3) . ?
P005 C012 1.832(3) . ?
P006 C00Y 1.844(3) . ?
P006 C014 1.828(3) . ?
P006 C01E 1.835(3) . ?
Cl2 C02D 1.770(4) . ?
Cl3 C02D 1.775(3) . ?
Cl1 C02H 1.765(5) . ?
Cl6 C02C 1.774(4) . ?
Cl5 C02C 1.747(3) . ?
Cl C02H 1.738(5) . ?
O00D H00D 0.8400 . ?
O00D C00Q 1.425(3) . ?
O00E C00S 1.198(4) . ?
O00F C00S 1.328(4) . ?
O00F C01N 1.469(4) . ?
N00G N00H 1.384(4) . ?
N00G C00S 1.424(4) . ?
N00G C013 1.398(4) . ?
N00H C011 1.421(4) . ?
C00I C00Q 1.520(4) . ?
C00I C019 1.356(4) . ?
C00J H00J 0.9500 . ?
C00J C00Y 1.384(5) . ?
C00J C01O 1.398(5) . ?
C00K H00K 0.9500 . ?
C00K C00Z 1.382(4) . ?
C00K C01R 1.389(5) . ?
C00L H00L 0.9500 . ?
C00L C014 1.405(4) . ?
C00L C01S 1.388(4) . ?
C00M H00M 0.9500 . ?
C00M C00T 1.395(5) . ?
C00M C016 1.392(4) . ?
C00N H00N 0.9500 . ?
C00N C014 1.390(4) . ?
C00N C017 1.388(4) . ?
C00O C00X 1.391(4) . ?
C00O C010 1.403(4) . ?
C00P H00P 0.9500 . ?
C00P C012 1.393(4) . ?
C00P C01L 1.394(4) . ?
C00Q H00Q 1.0000 . ?
C00Q C01I 1.510(4) . ?
C00R H00R 0.9500 . ?
C00R C00W 1.398(4) . ?
C00R C025 1.386(4) . ?
C00T C01J 1.393(5) . ?
C00T C029 1.512(4) . ?
C00U H00U 0.9500 . ?
C00U C00W 1.398(4) . ?
C00U C01P 1.392(5) . ?
C00V C01G 1.392(5) . ?
C00V C01H 1.398(4) . ?
C00X H00X 0.9500 . ?
C00X C01A 1.393(4) . ?
C00Y C022 1.402(5) . ?
C00Z H00Z 0.9500 . ?
C00Z C012 1.402(4) . ?
C010 H010 0.9500 . ?
C010 C026 1.389(4) . ?
C011 C016 1.393(4) . ?
C011 C01C 1.395(4) . ?
C013 H013 0.9500 . ?
C013 C01I 1.367(4) . ?
C015 H015 0.9500 . ?
C015 C01B 1.390(5) . ?
C015 C020 1.392(5) . ?
C016 H016 0.9500 . ?
C017 H017 0.9500 . ?
C017 C01Y 1.388(5) . ?
C018 C01M 1.392(5) . ?
C018 C01V 1.399(5) . ?
C019 H019 0.9500 . ?
C01A H01A 0.9500 . ?
C01A C027 1.386(5) . ?
C01B C01Q 1.394(5) . ?
C01C H01C 0.9500 . ?
C01C C01J 1.386(4) . ?
C01D H01D 0.9500 . ?
C01D C01E 1.389(5) . ?
C01D C01U 1.393(5) . ?
C01E C01F 1.407(5) . ?
C01F H01F 0.9500 . ?
C01F C01K 1.386(5) . ?
C01G H01G 0.9500 . ?
C01G C01Z 1.388(5) . ?
C01H H01H 0.9500 . ?
C01H C01X 1.382(5) . ?
C01J H01J 0.9500 . ?
C01K H01K 0.9500 . ?
C01K C01T 1.394(6) . ?
C01L H01L 0.9500 . ?
C01L C01R 1.386(5) . ?
C01M H01M 0.9500 . ?
C01M C024 1.397(5) . ?
C01N H01B 0.9900 . ?
C01N H01E 0.9900 . ?
C01N C02F 1.511(6) . ?
C01O H01O 0.9500 . ?
C01O C02E 1.382(6) . ?
C01P H01P 0.9500 . ?
C01P C023 1.383(5) . ?
C01Q H01Q 0.9500 . ?
C01Q C01W 1.393(5) . ?
C01R H01R 0.9500 . ?
C01S H01S 0.9500 . ?
C01S C01Y 1.386(5) . ?
C01T H01T 0.9500 . ?
C01T C01U 1.387(5) . ?
C01U H01U 0.9500 . ?
C01V H01V 0.9500 . ?
C01V C02B 1.387(5) . ?
C01W H01W 0.9500 . ?
C01W C02A 1.386(5) . ?
C01X H01X 0.9500 . ?
C01X C021 1.387(5) . ?
C01Y H01Y 0.9500 . ?
C01Z H01Z 0.9500 . ?
C01Z C021 1.383(5) . ?
C020 H020 0.9500 . ?
C020 C02A 1.376(5) . ?
C021 H021 0.9500 . ?
C022 H022 0.9500 . ?
C022 C028 1.385(5) . ?
C023 H023 0.9500 . ?
C023 C025 1.385(5) . ?
C024 H024 0.9500 . ?
C024 C02G 1.377(6) . ?
C025 H025 0.9500 . ?
C026 H026 0.9500 . ?
C026 C027 1.390(5) . ?
C027 H027 0.9500 . ?
C028 H028 0.9500 . ?
C028 C02E 1.381(6) . ?
C029 H02A 0.9800 . ?
C029 H02B 0.9800 . ?
C029 H02C 0.9800 . ?
C02A H02D 0.9500 . ?
C02B H02E 0.9500 . ?
C02B C02G 1.383(6) . ?
C02C H02Q 0.9900 . ?
C02C H02R 0.9900 . ?
C02D H02M 0.9900 . ?
C02D H02N 0.9900 . ?
C02E H02F 0.9500 . ?
C02F H02G 0.9900 . ?
C02F H02H 0.9900 . ?
C02F C02I 1.488(6) . ?
C02G H02I 0.9500 . ?
C02H H02O 0.9900 . ?
C02H H02P 0.9900 . ?
C02I H02J 0.9800 . ?
C02I H02K 0.9800 . ?
C02I H02L 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P005 Os01 Cl4 82.71(2) . . ?
P006 Os01 Cl4 85.51(2) . . ?
P006 Os01 P005 165.83(3) . . ?
N00H Os01 Cl4 101.45(7) . . ?
N00H Os01 P005 92.41(8) . . ?
N00H Os01 P006 97.64(8) . . ?
N00H Os01 C019 156.83(11) . . ?
C019 Os01 Cl4 101.71(8) . . ?
C019 Os01 P005 90.33(8) . . ?
C019 Os01 P006 84.36(8) . . ?
C01I Os01 Cl4 174.32(8) . . ?
C01I Os01 P005 91.61(8) . . ?
C01I Os01 P006 100.06(9) . . ?
C01I Os01 N00H 79.03(11) . . ?
C01I Os01 C019 77.90(12) . . ?
C00I P004 C00V 112.75(14) . . ?
C00I P004 C018 108.43(14) . . ?
C00I P004 C01B 112.74(14) . . ?
C018 P004 C00V 109.55(15) . . ?
C01B P004 C00V 107.07(14) . . ?
C01B P004 C018 106.06(14) . . ?
C00O P005 Os01 120.95(10) . . ?
C00O P005 C00W 101.38(13) . . ?
C00W P005 Os01 113.88(10) . . ?
C012 P005 Os01 112.43(10) . . ?
C012 P005 C00O 102.35(14) . . ?
C012 P005 C00W 103.81(13) . . ?
C00Y P006 Os01 121.88(10) . . ?
C014 P006 Os01 108.08(10) . . ?
C014 P006 C00Y 105.62(14) . . ?
C014 P006 C01E 104.22(14) . . ?
C01E P006 Os01 118.28(10) . . ?
C01E P006 C00Y 96.82(14) . . ?
C00Q O00D H00D 109.5 . . ?
C00S O00F C01N 116.0(3) . . ?
N00H N00G C00S 118.6(2) . . ?
N00H N00G C013 115.3(2) . . ?
C013 N00G C00S 123.8(3) . . ?
N00G N00H Os01 111.80(18) . . ?
N00G N00H C011 113.5(2) . . ?
C011 N00H Os01 130.0(2) . . ?
C00Q C00I P004 120.1(2) . . ?
C019 C00I P004 122.9(2) . . ?
C019 C00I C00Q 117.0(3) . . ?
C00Y C00J H00J 119.8 . . ?
C00Y C00J C01O 120.3(3) . . ?
C01O C00J H00J 119.8 . . ?
C00Z C00K H00K 119.8 . . ?
C00Z C00K C01R 120.5(3) . . ?
C01R C00K H00K 119.8 . . ?
C014 C00L H00L 120.0 . . ?
C01S C00L H00L 120.0 . . ?
C01S C00L C014 120.0(3) . . ?
C00T C00M H00M 119.5 . . ?
C016 C00M H00M 119.5 . . ?
C016 C00M C00T 121.1(3) . . ?
C014 C00N H00N 119.8 . . ?
C017 C00N H00N 119.8 . . ?
C017 C00N C014 120.4(3) . . ?
C00X C00O P005 121.9(2) . . ?
C00X C00O C010 118.7(3) . . ?
C010 C00O P005 119.1(2) . . ?
C012 C00P H00P 120.0 . . ?
C012 C00P C01L 120.1(3) . . ?
C01L C00P H00P 120.0 . . ?
O00D C00Q C00I 109.9(2) . . ?
O00D C00Q H00Q 108.7 . . ?
O00D C00Q C01I 115.4(2) . . ?
C00I C00Q H00Q 108.7 . . ?
C01I C00Q C00I 105.1(2) . . ?
C01I C00Q H00Q 108.7 . . ?
C00W C00R H00R 119.8 . . ?
C025 C00R H00R 119.8 . . ?
C025 C00R C00W 120.4(3) . . ?
O00E C00S O00F 127.0(3) . . ?
O00E C00S N00G 123.2(3) . . ?
O00F C00S N00G 109.8(3) . . ?
C00M C00T C029 120.6(3) . . ?
C01J C00T C00M 118.3(3) . . ?
C01J C00T C029 121.1(3) . . ?
C00W C00U H00U 119.8 . . ?
C01P C00U H00U 119.8 . . ?
C01P C00U C00W 120.3(3) . . ?
C01G C00V P004 121.6(2) . . ?
C01G C00V C01H 119.0(3) . . ?
C01H C00V P004 119.4(2) . . ?
C00R C00W P005 119.2(2) . . ?
C00R C00W C00U 118.7(3) . . ?
C00U C00W P005 122.1(2) . . ?
C00O C00X H00X 119.6 . . ?
C00O C00X C01A 120.7(3) . . ?
C01A C00X H00X 119.6 . . ?
C00J C00Y P006 124.3(2) . . ?
C00J C00Y C022 119.0(3) . . ?
C022 C00Y P006 116.4(3) . . ?
C00K C00Z H00Z 119.8 . . ?
C00K C00Z C012 120.3(3) . . ?
C012 C00Z H00Z 119.8 . . ?
C00O C010 H010 119.7 . . ?
C026 C010 C00O 120.6(3) . . ?
C026 C010 H010 119.7 . . ?
C016 C011 N00H 117.2(3) . . ?
C016 C011 C01C 119.7(3) . . ?
C01C C011 N00H 122.9(3) . . ?
C00P C012 P005 122.0(2) . . ?
C00P C012 C00Z 119.1(3) . . ?
C00Z C012 P005 118.9(2) . . ?
N00G C013 H013 122.6 . . ?
C01I C013 N00G 114.8(3) . . ?
C01I C013 H013 122.6 . . ?
C00L C014 P006 118.7(2) . . ?
C00N C014 P006 121.4(2) . . ?
C00N C014 C00L 119.2(3) . . ?
C01B C015 H015 120.2 . . ?
C01B C015 C020 119.6(3) . . ?
C020 C015 H015 120.2 . . ?
C00M C016 C011 119.8(3) . . ?
C00M C016 H016 120.1 . . ?
C011 C016 H016 120.1 . . ?
C00N C017 H017 119.9 . . ?
C01Y C017 C00N 120.2(3) . . ?
C01Y C017 H017 119.9 . . ?
C01M C018 P004 120.2(3) . . ?
C01M C018 C01V 119.7(3) . . ?
C01V C018 P004 120.1(2) . . ?
Os01 C019 H019 121.4 . . ?
C00I C019 Os01 117.3(2) . . ?
C00I C019 H019 121.4 . . ?
C00X C01A H01A 119.9 . . ?
C027 C01A C00X 120.1(3) . . ?
C027 C01A H01A 119.9 . . ?
C015 C01B P004 119.2(2) . . ?
C015 C01B C01Q 120.2(3) . . ?
C01Q C01B P004 120.4(3) . . ?
C011 C01C H01C 120.1 . . ?
C01J C01C C011 119.8(3) . . ?
C01J C01C H01C 120.1 . . ?
C01E C01D H01D 119.8 . . ?
C01E C01D C01U 120.4(3) . . ?
C01U C01D H01D 119.8 . . ?
C01D C01E P006 122.9(2) . . ?
C01D C01E C01F 118.7(3) . . ?
C01F C01E P006 118.3(2) . . ?
C01E C01F H01F 119.6 . . ?
C01K C01F C01E 120.7(3) . . ?
C01K C01F H01F 119.6 . . ?
C00V C01G H01G 119.8 . . ?
C01Z C01G C00V 120.3(3) . . ?
C01Z C01G H01G 119.8 . . ?
C00V C01H H01H 119.9 . . ?
C01X C01H C00V 120.2(3) . . ?
C01X C01H H01H 119.9 . . ?
C00Q C01I Os01 120.9(2) . . ?
C013 C01I Os01 115.5(2) . . ?
C013 C01I C00Q 123.5(3) . . ?
C00T C01J H01J 119.3 . . ?
C01C C01J C00T 121.4(3) . . ?
C01C C01J H01J 119.3 . . ?
C01F C01K H01K 120.0 . . ?
C01F C01K C01T 120.0(3) . . ?
C01T C01K H01K 120.0 . . ?
C00P C01L H01L 119.8 . . ?
C01R C01L C00P 120.5(3) . . ?
C01R C01L H01L 119.8 . . ?
C018 C01M H01M 120.1 . . ?
C018 C01M C024 119.9(3) . . ?
C024 C01M H01M 120.1 . . ?
O00F C01N H01B 108.9 . . ?
O00F C01N H01E 108.9 . . ?
O00F C01N C02F 113.5(3) . . ?
H01B C01N H01E 107.7 . . ?
C02F C01N H01B 108.9 . . ?
C02F C01N H01E 108.9 . . ?
C00J C01O H01O 120.0 . . ?
C02E C01O C00J 120.1(3) . . ?
C02E C01O H01O 120.0 . . ?
C00U C01P H01P 119.8 . . ?
C023 C01P C00U 120.4(3) . . ?
C023 C01P H01P 119.8 . . ?
C01B C01Q H01Q 120.4 . . ?
C01W C01Q C01B 119.2(3) . . ?
C01W C01Q H01Q 120.4 . . ?
C00K C01R H01R 120.2 . . ?
C01L C01R C00K 119.6(3) . . ?
C01L C01R H01R 120.2 . . ?
C00L C01S H01S 119.8 . . ?
C01Y C01S C00L 120.4(3) . . ?
C01Y C01S H01S 119.8 . . ?
C01K C01T H01T 120.2 . . ?
C01U C01T C01K 119.5(3) . . ?
C01U C01T H01T 120.2 . . ?
C01D C01U H01U 119.7 . . ?
C01T C01U C01D 120.5(3) . . ?
C01T C01U H01U 119.7 . . ?
C018 C01V H01V 120.1 . . ?
C02B C01V C018 119.8(3) . . ?
C02B C01V H01V 120.1 . . ?
C01Q C01W H01W 119.7 . . ?
C02A C01W C01Q 120.6(3) . . ?
C02A C01W H01W 119.7 . . ?
C01H C01X H01X 119.7 . . ?
C01H C01X C021 120.6(3) . . ?
C021 C01X H01X 119.7 . . ?
C017 C01Y H01Y 120.1 . . ?
C01S C01Y C017 119.8(3) . . ?
C01S C01Y H01Y 120.1 . . ?
C01G C01Z H01Z 119.8 . . ?
C021 C01Z C01G 120.4(3) . . ?
C021 C01Z H01Z 119.8 . . ?
C015 C020 H020 119.6 . . ?
C02A C020 C015 120.7(3) . . ?
C02A C020 H020 119.6 . . ?
C01X C021 H021 120.3 . . ?
C01Z C021 C01X 119.5(3) . . ?
C01Z C021 H021 120.3 . . ?
C00Y C022 H022 119.8 . . ?
C028 C022 C00Y 120.3(3) . . ?
C028 C022 H022 119.8 . . ?
C01P C023 H023 120.2 . . ?
C01P C023 C025 119.6(3) . . ?
C025 C023 H023 120.2 . . ?
C01M C024 H024 120.1 . . ?
C02G C024 C01M 119.9(3) . . ?
C02G C024 H024 120.1 . . ?
C00R C025 H025 119.7 . . ?
C023 C025 C00R 120.5(3) . . ?
C023 C025 H025 119.7 . . ?
C010 C026 H026 120.0 . . ?
C010 C026 C027 120.0(3) . . ?
C027 C026 H026 120.0 . . ?
C01A C027 C026 119.9(3) . . ?
C01A C027 H027 120.1 . . ?
C026 C027 H027 120.1 . . ?
C022 C028 H028 119.9 . . ?
C02E C028 C022 120.2(3) . . ?
C02E C028 H028 119.9 . . ?
C00T C029 H02A 109.5 . . ?
C00T C029 H02B 109.5 . . ?
C00T C029 H02C 109.5 . . ?
H02A C029 H02B 109.5 . . ?
H02A C029 H02C 109.5 . . ?
H02B C029 H02C 109.5 . . ?
C01W C02A H02D 120.2 . . ?
C020 C02A C01W 119.7(3) . . ?
C020 C02A H02D 120.2 . . ?
C01V C02B H02E 120.0 . . ?
C02G C02B C01V 120.1(3) . . ?
C02G C02B H02E 120.0 . . ?
Cl6 C02C H02Q 109.2 . . ?
Cl6 C02C H02R 109.2 . . ?
Cl5 C02C Cl6 112.1(2) . . ?
Cl5 C02C H02Q 109.2 . . ?
Cl5 C02C H02R 109.2 . . ?
H02Q C02C H02R 107.9 . . ?
Cl2 C02D Cl3 111.50(18) . . ?
Cl2 C02D H02M 109.3 . . ?
Cl2 C02D H02N 109.3 . . ?
Cl3 C02D H02M 109.3 . . ?
Cl3 C02D H02N 109.3 . . ?
H02M C02D H02N 108.0 . . ?
C01O C02E H02F 120.0 . . ?
C028 C02E C01O 120.0(3) . . ?
C028 C02E H02F 120.0 . . ?
C01N C02F H02G 107.4 . . ?
C01N C02F H02H 107.4 . . ?
H02G C02F H02H 107.0 . . ?
C02I C02F C01N 119.5(4) . . ?
C02I C02F H02G 107.4 . . ?
C02I C02F H02H 107.4 . . ?
C024 C02G C02B 120.6(3) . . ?
C024 C02G H02I 119.7 . . ?
C02B C02G H02I 119.7 . . ?
Cl1 C02H H02O 109.4 . . ?
Cl1 C02H H02P 109.4 . . ?
Cl C02H Cl1 111.2(3) . . ?
Cl C02H H02O 109.4 . . ?
Cl C02H H02P 109.4 . . ?
H02O C02H H02P 108.0 . . ?
C02F C02I H02J 109.5 . . ?
C02F C02I H02K 109.5 . . ?
C02F C02I H02L 109.5 . . ?
H02J C02I H02K 109.5 . . ?
H02J C02I H02L 109.5 . . ?
H02K C02I H02L 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Os01 P005 C00O C00X 132.2(2) . . . . ?
Os01 P005 C00O C010 -54.7(3) . . . . ?
Os01 P005 C00W C00R -36.7(2) . . . . ?
Os01 P005 C00W C00U 144.6(2) . . . . ?
Os01 P005 C012 C00P 126.3(2) . . . . ?
Os01 P005 C012 C00Z -54.2(2) . . . . ?
Os01 P006 C00Y C00J 110.3(3) . . . . ?
Os01 P006 C00Y C022 -76.0(3) . . . . ?
Os01 P006 C014 C00L -64.8(2) . . . . ?
Os01 P006 C014 C00N 105.3(2) . . . . ?
Os01 P006 C01E C01D 12.9(3) . . . . ?
Os01 P006 C01E C01F -171.2(2) . . . . ?
Os01 N00H C011 C016 53.8(4) . . . . ?
Os01 N00H C011 C01C -122.3(3) . . . . ?
P004 C00I C00Q O00D -44.5(3) . . . . ?
P004 C00I C00Q C01I -169.3(2) . . . . ?
P004 C00I C019 Os01 177.38(14) . . . . ?
P004 C00V C01G C01Z -179.6(3) . . . . ?
P004 C00V C01H C01X 179.6(2) . . . . ?
P004 C018 C01M C024 177.3(3) . . . . ?
P004 C018 C01V C02B -179.7(3) . . . . ?
P004 C01B C01Q C01W -173.1(3) . . . . ?
P005 C00O C00X C01A 172.6(2) . . . . ?
P005 C00O C010 C026 -172.7(2) . . . . ?
P006 C00Y C022 C028 -172.7(3) . . . . ?
P006 C01E C01F C01K -178.8(3) . . . . ?
O00D C00Q C01I Os01 -136.5(2) . . . . ?
O00D C00Q C01I C013 41.5(4) . . . . ?
O00F C01N C02F C02I -83.4(5) . . . . ?
N00G N00H C011 C016 -153.1(3) . . . . ?
N00G N00H C011 C01C 30.9(4) . . . . ?
N00G C013 C01I Os01 -12.5(3) . . . . ?
N00G C013 C01I C00Q 169.5(3) . . . . ?
N00H N00G C00S O00E 1.0(5) . . . . ?
N00H N00G C00S O00F 179.9(3) . . . . ?
N00H N00G C013 C01I -2.2(4) . . . . ?
N00H C011 C016 C00M -176.0(3) . . . . ?
N00H C011 C01C C01J 176.2(3) . . . . ?
C00I P004 C00V C01G -125.1(3) . . . . ?
C00I P004 C00V C01H 55.6(3) . . . . ?
C00I P004 C018 C01M -108.4(3) . . . . ?
C00I P004 C018 C01V 69.7(3) . . . . ?
C00I P004 C01B C015 36.6(3) . . . . ?
C00I P004 C01B C01Q -149.9(2) . . . . ?
C00I C00Q C01I Os01 -15.2(3) . . . . ?
C00I C00Q C01I C013 162.8(3) . . . . ?
C00J C00Y C022 C028 1.3(5) . . . . ?
C00J C01O C02E C028 1.3(6) . . . . ?
C00K C00Z C012 P005 -179.8(2) . . . . ?
C00K C00Z C012 C00P -0.3(4) . . . . ?
C00L C01S C01Y C017 -0.2(5) . . . . ?
C00M C00T C01J C01C 0.5(5) . . . . ?
C00N C017 C01Y C01S 0.3(5) . . . . ?
C00O P005 C00W C00R -168.2(2) . . . . ?
C00O P005 C00W C00U 13.1(3) . . . . ?
C00O P005 C012 C00P -102.4(3) . . . . ?
C00O P005 C012 C00Z 77.1(2) . . . . ?
C00O C00X C01A C027 0.0(5) . . . . ?
C00O C010 C026 C027 -0.1(5) . . . . ?
C00P C01L C01R C00K -0.7(4) . . . . ?
C00Q C00I C019 Os01 -2.1(3) . . . . ?
C00S O00F C01N C02F 82.8(4) . . . . ?
C00S N00G N00H Os01 -148.5(2) . . . . ?
C00S N00G N00H C011 53.3(4) . . . . ?
C00S N00G C013 C01I 160.3(3) . . . . ?
C00T C00M C016 C011 -0.3(5) . . . . ?
C00U C01P C023 C025 -0.2(5) . . . . ?
C00V P004 C00I C00Q -50.6(3) . . . . ?
C00V P004 C00I C019 129.9(3) . . . . ?
C00V P004 C018 C01M 128.1(3) . . . . ?
C00V P004 C018 C01V -53.7(3) . . . . ?
C00V P004 C01B C015 161.2(2) . . . . ?
C00V P004 C01B C01Q -25.4(3) . . . . ?
C00V C01G C01Z C021 0.2(6) . . . . ?
C00V C01H C01X C021 -0.1(5) . . . . ?
C00W P005 C00O C00X -100.8(3) . . . . ?
C00W P005 C00O C010 72.3(3) . . . . ?
C00W P005 C012 C00P 2.8(3) . . . . ?
C00W P005 C012 C00Z -177.7(2) . . . . ?
C00W C00R C025 C023 -0.7(5) . . . . ?
C00W C00U C01P C023 -0.5(5) . . . . ?
C00X C00O C010 C026 0.6(4) . . . . ?
C00X C01A C027 C026 0.5(5) . . . . ?
C00Y P006 C014 C00L 67.1(3) . . . . ?
C00Y P006 C014 C00N -122.8(2) . . . . ?
C00Y P006 C01E C01D -119.1(3) . . . . ?
C00Y P006 C01E C01F 56.9(3) . . . . ?
C00Y C00J C01O C02E -1.0(5) . . . . ?
C00Y C022 C028 C02E -1.0(6) . . . . ?
C00Z C00K C01R C01L 0.7(5) . . . . ?
C010 C00O C00X C01A -0.6(4) . . . . ?
C010 C026 C027 C01A -0.5(5) . . . . ?
C011 C01C C01J C00T -0.6(5) . . . . ?
C012 P005 C00O C00X 6.2(3) . . . . ?
C012 P005 C00O C010 179.3(2) . . . . ?
C012 P005 C00W C00R 85.9(2) . . . . ?
C012 P005 C00W C00U -92.8(3) . . . . ?
C012 C00P C01L C01R 0.2(4) . . . . ?
C013 N00G N00H Os01 14.9(3) . . . . ?
C013 N00G N00H C011 -143.3(3) . . . . ?
C013 N00G C00S O00E -161.0(3) . . . . ?
C013 N00G C00S O00F 18.0(4) . . . . ?
C014 P006 C00Y C00J -13.3(3) . . . . ?
C014 P006 C00Y C022 160.4(3) . . . . ?
C014 P006 C01E C01D 132.9(3) . . . . ?
C014 P006 C01E C01F -51.2(3) . . . . ?
C014 C00L C01S C01Y -0.9(5) . . . . ?
C014 C00N C017 C01Y 0.5(4) . . . . ?
C015 C01B C01Q C01W 0.3(5) . . . . ?
C015 C020 C02A C01W 0.2(5) . . . . ?
C016 C00M C00T C01J 0.0(5) . . . . ?
C016 C00M C00T C029 178.5(3) . . . . ?
C016 C011 C01C C01J 0.3(5) . . . . ?
C017 C00N C014 P006 -171.6(2) . . . . ?
C017 C00N C014 C00L -1.5(4) . . . . ?
C018 P004 C00I C00Q -172.1(2) . . . . ?
C018 P004 C00I C019 8.5(3) . . . . ?
C018 P004 C00V C01G -4.2(3) . . . . ?
C018 P004 C00V C01H 176.5(2) . . . . ?
C018 P004 C01B C015 -81.9(3) . . . . ?
C018 P004 C01B C01Q 91.6(3) . . . . ?
C018 C01M C024 C02G 2.0(5) . . . . ?
C018 C01V C02B C02G 2.8(5) . . . . ?
C019 C00I C00Q O00D 135.0(3) . . . . ?
C019 C00I C00Q C01I 10.1(3) . . . . ?
C01B P004 C00I C00Q 70.8(3) . . . . ?
C01B P004 C00I C019 -108.7(3) . . . . ?
C01B P004 C00V C01G 110.4(3) . . . . ?
C01B P004 C00V C01H -68.9(3) . . . . ?
C01B P004 C018 C01M 12.9(3) . . . . ?
C01B P004 C018 C01V -169.0(3) . . . . ?
C01B C015 C020 C02A 0.6(5) . . . . ?
C01B C01Q C01W C02A 0.6(5) . . . . ?
C01C C011 C016 C00M 0.2(5) . . . . ?
C01D C01E C01F C01K -2.7(5) . . . . ?
C01E P006 C00Y C00J -120.2(3) . . . . ?
C01E P006 C00Y C022 53.5(3) . . . . ?
C01E P006 C014 C00L 168.5(2) . . . . ?
C01E P006 C014 C00N -21.4(3) . . . . ?
C01E C01D C01U C01T 1.3(5) . . . . ?
C01E C01F C01K C01T 2.0(5) . . . . ?
C01F C01K C01T C01U 0.3(5) . . . . ?
C01G C00V C01H C01X 0.3(5) . . . . ?
C01G C01Z C021 C01X -0.1(6) . . . . ?
C01H C00V C01G C01Z -0.3(5) . . . . ?
C01H C01X C021 C01Z 0.0(5) . . . . ?
C01K C01T C01U C01D -2.0(5) . . . . ?
C01L C00P C012 P005 179.8(2) . . . . ?
C01L C00P C012 C00Z 0.3(4) . . . . ?
C01M C018 C01V C02B -1.6(5) . . . . ?
C01M C024 C02G C02B -0.8(5) . . . . ?
C01N O00F C00S O00E 2.4(5) . . . . ?
C01N O00F C00S N00G -176.5(3) . . . . ?
C01O C00J C00Y P006 173.2(3) . . . . ?
C01O C00J C00Y C022 -0.3(5) . . . . ?
C01P C00U C00W P005 179.3(2) . . . . ?
C01P C00U C00W C00R 0.5(4) . . . . ?
C01P C023 C025 C00R 0.8(5) . . . . ?
C01Q C01W C02A C020 -0.8(5) . . . . ?
C01R C00K C00Z C012 -0.2(4) . . . . ?
C01S C00L C014 P006 172.0(2) . . . . ?
C01S C00L C014 C00N 1.7(4) . . . . ?
C01U C01D C01E P006 176.9(2) . . . . ?
C01U C01D C01E C01F 1.0(5) . . . . ?
C01V C018 C01M C024 -0.8(5) . . . . ?
C01V C02B C02G C024 -1.7(5) . . . . ?
C020 C015 C01B P004 172.6(3) . . . . ?
C020 C015 C01B C01Q -0.9(5) . . . . ?
C022 C028 C02E C01O -0.3(6) . . . . ?
C025 C00R C00W P005 -178.8(2) . . . . ?
C025 C00R C00W C00U 0.0(4) . . . . ?
C029 C00T C01J C01C -178.0(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_czw_20221102_2_0m
_database_code_depnum_ccdc_archive 'CCDC 2233816'
loop_
_audit_author_name
_audit_author_address
'Zhenwei Chu'
;Department of chemistry, Southern University of Science and Technology
China
;
_audit_update_record             
;
2023-03-05 deposited with the CCDC.	2023-03-14 downloaded from the CCDC.
;
_audit_creation_date             2022-12-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C67 H55 N2 O Os P3, 2(F6 Sb), 2(C H2 Cl2)'
_chemical_formula_sum            'C69 H59 Cl4 F12 N2 O Os P3 Sb2'
_chemical_formula_weight         1828.59
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0148 0.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3294 0.5404 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0599 0.0411 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -5.8229 5.1654 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2596 0.3354 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb 0.0887 4.4825 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.1145(5)
_cell_length_b                   13.6851(6)
_cell_length_c                   23.2566(10)
_cell_angle_alpha                81.356(2)
_cell_angle_beta                 78.117(2)
_cell_angle_gamma                84.437(2)
_cell_volume                     3414.3(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9870
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      52.95
_cell_measurement_theta_min      2.85
_shelx_estimated_absorpt_T_max   0.786
_shelx_estimated_absorpt_T_min   0.632
_exptl_absorpt_coefficient_mu    8.436
_exptl_absorpt_correction_T_max  0.7505
_exptl_absorpt_correction_T_min  0.5991
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1132 before and 0.0647 after correction.
The Ratio of minimum to maximum transmission is 0.7983.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1788
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0543
_diffrn_reflns_av_unetI/netI     0.0397
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            67848
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        52.981
_diffrn_reflns_theta_max         52.981
_diffrn_reflns_theta_min         1.704
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10818
_reflns_number_total             12009
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.246
_refine_diff_density_min         -1.783
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     788
_refine_ls_number_reflns         12009
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0368
_refine_ls_restrained_S_all      1.133
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0419P)²+10.4549P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0899
_refine_ls_wR_factor_ref         0.0958
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C17) = Uanis(C02L) = Uanis(C02K) = Uanis(C9) = Uanis(C16) = Uanis(C02F) =
Uanis(C02E) = Uanis(C38) = Uanis(C35) = Uanis(C02A) = Uanis(C01Z)
Uanis(C1) = Uanis(C021) = Uanis(C2) = Uanis(C18) = Uanis(C3AA) = Uanis(C7) =
Uanis(C5) = Uanis(C6) = Uanis(C2AA) = Uanis(C8)
Uanis(C02H) = Uanis(C02G) = Uanis(C1AA) = Uanis(C027) = Uanis(C01T) =
Uanis(C018) = Uanis(C022) = Uanis(C10)
Uanis(C02M) = Uanis(C0AA) = Uanis(Cl0A) = Uanis(Cl7) = Uanis(Cl09) = Uanis(Cl5)
3. Others
 Fixed Sof: Cl09(0.5) Cl0A(0.5) H027(0.5) H02D(0.5) C02A(0.5) H02E(0.5)
 C02E(0.5) H02F(0.5) C02F(0.66667) H02G(0.66667) C02G(0.5) H02H(0.5) C02H(0.5)
 H02I(0.5) C02K(0.66667) H02K(0.66667) C02L(0.66667) H02L(0.66667) C02M(0.5)
 H02N(0.5) H02O(0.5) C9(0.33333) H9(0.33333) C16(0.33333) H16(0.33333)
 C17(0.33333) H17(0.33333) C35(0.5) H35(0.5) C38(0.5) H38(0.5) Cl5(0.5)
 Cl7(0.5) C0AA(0.5) H0AA(0.5) H0AB(0.5) H1A(0.5) H1B(0.5) C2(0.5) H2(0.5)
 C7(0.5) H7(0.5) C8(0.5) H8(0.5) C5(0.5) H5(0.5) C6(0.5) H6(0.5) C3AA(0.5)
 H3AA(0.5) C1AA(0.5) H1AA(0.5) C10(0.5) H10(0.5) C2AA(0.5) H2AA(0.5) C18(0.5)
 H18(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C02B(H02J,H02M), C02M(H02N,H02O), C0AA(H0AA,H0AB)
4.b Aromatic/amide H refined with riding coordinates:
 C00R(H00R), C00T(H00T), C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X),
 C010(H010), C011(H011), C012(H012), C013(H013), C014(H014), C016(H016),
 C018(H018), C019(H019), C01A(H01A), C01B(H01B), C01C(H01C), C01D(H01D),
 C01E(H01E), C01F(H01F), C01G(H01G), C01H(H01H), C01J(H01J), C01L(H01L),
 C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q), C01R(H01R),
 C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W), C023(H023),
 C025(H025), C027(H027), C027(H02D), C028(H028), C029(H029), C02A(H02E),
 C02E(H02F), C02F(H02G), C02G(H02H), C02H(H02I), C02K(H02K), C02L(H02L), C9(H9),
  C16(H16), C17(H17), C35(H35), C38(H38), C1(H1A), C1(H1B), C2(H2), C7(H7),
 C8(H8), C5(H5), C6(H6), C3AA(H3AA), C1AA(H1AA), C10(H10), C2AA(H2AA), C18(H18)
4.c Idealised Me refined as rotating group:
 C026(H02A,H02B,H02C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os01 Os 0.43536(2) 0.55856(2) 0.25926(2) 0.01253(7) Uani 1 1 d . . . . .
Sb02 Sb 0.12024(3) 0.26757(2) 0.09967(2) 0.01709(8) Uani 1 1 d . . . . .
Sb03 Sb 0.76652(3) 0.92397(2) 0.26146(2) 0.02517(9) Uani 1 1 d . . . . .
P004 P 0.31726(10) 0.86596(8) 0.16563(5) 0.0104(2) Uani 1 1 d . . . . .
P05 P 0.54947(10) 0.52224(8) 0.16234(5) 0.0118(2) Uani 1 1 d . . . . .
P006 P 0.32472(11) 0.58655(9) 0.35795(5) 0.0171(2) Uani 1 1 d . . . . .
Cl07 Cl -0.10789(14) 0.35534(11) 0.26916(7) 0.0404(3) Uani 1 1 d . . . . .
Cl08 Cl -0.04975(16) 0.20966(12) 0.36616(6) 0.0470(4) Uani 1 1 d . . . . .
Cl09 Cl 0.0748(5) 0.2521(3) 0.4895(2) 0.0550(6) Uani 0.5 1 d . . P A 1
Cl0A Cl 0.1467(4) 0.0500(4) 0.5354(2) 0.0550(6) Uani 0.5 1 d . . P A 1
F00B F 0.6222(3) 1.0021(2) 0.28569(14) 0.0342(7) Uani 1 1 d . . . . .
F00C F 0.6736(3) 0.8179(3) 0.26003(19) 0.0569(11) Uani 1 1 d . . . . .
F00D F 0.2003(4) 0.3568(3) 0.03832(16) 0.0520(10) Uani 1 1 d . . . . .
F00E F 0.0395(4) 0.1801(2) 0.16156(14) 0.0471(9) Uani 1 1 d . . . . .
N00F N 0.3642(4) 0.4177(3) 0.28114(16) 0.0166(8) Uani 1 1 d . . . . .
N00G N 0.2557(4) 0.4073(3) 0.26798(16) 0.0175(8) Uani 1 1 d . . . . .
F00H F 0.0915(4) 0.1897(3) 0.04538(15) 0.0527(10) Uani 1 1 d . . . . .
F00I F 0.9111(3) 0.8440(2) 0.23780(17) 0.0418(8) Uani 1 1 d . . . . .
F00J F 0.1570(4) 0.3432(3) 0.15386(16) 0.0637(12) Uani 1 1 d . . . . .
F00K F 0.2692(3) 0.1935(3) 0.1020(2) 0.0628(11) Uani 1 1 d . . . . .
C00L C 0.2023(4) 0.8798(3) 0.12090(19) 0.0119(9) Uani 1 1 d . . . . .
F00M F 0.7585(4) 0.9643(3) 0.18202(17) 0.0743(14) Uani 1 1 d . . . . .
C00N C 0.2750(4) 0.5749(3) 0.22803(18) 0.0122(9) Uani 1 1 d . . . . .
C00O C 0.4597(4) 0.9024(3) 0.11871(19) 0.0132(9) Uani 1 1 d . . . . .
F00P F -0.0273(3) 0.3409(3) 0.0958(2) 0.0793(15) Uani 1 1 d . . . . .
F00Q F 0.7726(5) 0.8806(4) 0.34021(17) 0.0890(18) Uani 1 1 d . . . . .
C00R C 0.4284(4) 0.7020(3) 0.22907(18) 0.0127(9) Uani 1 1 d . . . . .
H00R H 0.486183 0.744558 0.234928 0.015 Uiso 1 1 calc R . . . .
C00S C 0.4779(4) 0.5679(3) 0.09769(18) 0.0137(9) Uani 1 1 d . . . . .
C00T C 0.4812(4) 0.3311(3) 0.15923(19) 0.0159(9) Uani 1 1 d . . . . .
H00T H 0.401605 0.362039 0.157097 0.019 Uiso 1 1 calc R . . . .
C00U C 0.2452(4) 0.6692(3) 0.19852(19) 0.0134(9) Uani 1 1 d . . . . .
H00U H 0.174446 0.684506 0.180995 0.016 Uiso 1 1 calc R . . . .
C00V C 0.5421(4) 0.6305(3) 0.0501(2) 0.0170(10) Uani 1 1 d . . . . .
H00V H 0.619690 0.651539 0.052393 0.020 Uiso 1 1 calc R . . . .
C00W C 0.1601(4) 0.9352(3) 0.2614(2) 0.0172(10) Uani 1 1 d . . . . .
H00W H 0.101754 0.895015 0.253718 0.021 Uiso 1 1 calc R . . . .
C00X C 0.2212(4) 0.8198(3) 0.07544(19) 0.0160(9) Uani 1 1 d . . . . .
H00X H 0.291504 0.774371 0.070086 0.019 Uiso 1 1 calc R . . . .
C00Y C 0.7032(4) 0.5700(3) 0.1417(2) 0.0158(9) Uani 1 1 d . . . . .
C00Z C 0.2777(4) 0.9391(3) 0.22538(19) 0.0133(9) Uani 1 1 d . . . . .
C010 C 0.1297(4) 0.9900(4) 0.3081(2) 0.0207(10) Uani 1 1 d . . . . .
H010 H 0.049662 0.988594 0.332334 0.025 Uiso 1 1 calc R . . . .
C011 C 0.1019(4) 0.9496(3) 0.1271(2) 0.0167(10) Uani 1 1 d . . . . .
H011 H 0.091332 0.992816 0.156350 0.020 Uiso 1 1 calc R . . . .
C012 C 0.5017(4) 0.2290(3) 0.1602(2) 0.0178(10) Uani 1 1 d . . . . .
H012 H 0.436425 0.190640 0.157967 0.021 Uiso 1 1 calc R . . . .
C013 C 0.2095(4) 0.4905(3) 0.23868(19) 0.0147(9) Uani 1 1 d . . . . .
H013 H 0.133858 0.491308 0.225616 0.018 Uiso 1 1 calc R . . . .
C014 C 0.3157(4) 0.5691(3) 0.0419(2) 0.0159(9) Uani 1 1 d . . . . .
H014 H 0.238814 0.547378 0.038982 0.019 Uiso 1 1 calc R . . . .
C015 C 0.3310(4) 0.7375(3) 0.19790(18) 0.0115(9) Uani 1 1 d . . . . .
C016 C 0.5620(4) 0.8371(3) 0.1071(2) 0.0197(10) Uani 1 1 d . . . . .
H016 H 0.560015 0.770627 0.126021 0.024 Uiso 1 1 calc R . . . .
C017 C 0.5774(4) 0.3883(3) 0.16140(19) 0.0140(9) Uani 1 1 d . . . . .
C018 C 0.4352(5) 0.7615(4) 0.3610(2) 0.0279(5) Uani 1 1 d . . . . .
H018 H 0.500116 0.740191 0.331064 0.033 Uiso 1 1 calc R . . . .
C019 C 0.0345(4) 0.8943(4) 0.0466(2) 0.0208(10) Uani 1 1 d . . . . .
H019 H -0.024539 0.898094 0.021899 0.025 Uiso 1 1 calc R . . . .
C01A C 0.5366(5) 0.3114(4) 0.3088(2) 0.0249(11) Uani 1 1 d . . . . .
H01A H 0.590438 0.353326 0.280920 0.030 Uiso 1 1 calc R . . . .
C01B C 0.3807(5) 0.1930(3) 0.3917(2) 0.0254(12) Uani 1 1 d . . . . .
H01B H 0.326913 0.152585 0.420655 0.030 Uiso 1 1 calc R . . . .
C01C C 0.3640(4) 0.5393(3) 0.0928(2) 0.0135(9) Uani 1 1 d . . . . .
H01C H 0.318300 0.498431 0.124981 0.016 Uiso 1 1 calc R . . . .
C01D C 0.2162(5) 1.0473(4) 0.3196(2) 0.0248(11) Uani 1 1 d . . . . .
H01D H 0.195036 1.084930 0.351822 0.030 Uiso 1 1 calc R . . . .
C01E C 0.0176(4) 0.9551(4) 0.0899(2) 0.0207(10) Uani 1 1 d . . . . .
H01E H -0.052172 1.001301 0.094489 0.025 Uiso 1 1 calc R . . . .
C01F C 0.7114(5) 0.2387(4) 0.1680(2) 0.0215(10) Uani 1 1 d . . . . .
H01F H 0.789769 0.206734 0.171511 0.026 Uiso 1 1 calc R . . . .
C01G C 0.5852(5) 0.2317(4) 0.3426(2) 0.0256(11) Uani 1 1 d . . . . .
H01G H 0.671854 0.216884 0.336405 0.031 Uiso 1 1 calc R . . . .
C01H C 0.6154(5) 0.1835(3) 0.1643(2) 0.0228(11) Uani 1 1 d . . . . .
H01H H 0.628760 0.113799 0.164733 0.027 Uiso 1 1 calc R . . . .
C01I C 0.5074(5) 0.1728(4) 0.3858(2) 0.0262(12) Uani 1 1 d . . . . .
C01J C 0.9060(5) 0.5667(4) 0.0797(2) 0.0271(12) Uani 1 1 d . . . . .
H01J H 0.963824 0.541052 0.048482 0.033 Uiso 1 1 calc R . . . .
O01K O 0.6778(4) 0.5450(4) 0.3048(2) 0.0619(15) Uani 1 1 d . . . . .
C01L C 0.4636(4) 1.0009(3) 0.0913(2) 0.0176(10) Uani 1 1 d . . . . .
H01L H 0.393894 1.046407 0.098950 0.021 Uiso 1 1 calc R . . . .
C01M C 0.6927(4) 0.3402(3) 0.16646(19) 0.0161(9) Uani 1 1 d . . . . .
H01M H 0.758546 0.377816 0.168867 0.019 Uiso 1 1 calc R . . . .
C01N C 0.1369(5) 0.8273(3) 0.0385(2) 0.0187(10) Uani 1 1 d . . . . .
H01N H 0.148920 0.786769 0.007718 0.022 Uiso 1 1 calc R . . . .
C01O C 0.6674(4) 0.8682(4) 0.0680(2) 0.0240(11) Uani 1 1 d . . . . .
H01O H 0.736844 0.822719 0.059480 0.029 Uiso 1 1 calc R . . . .
C01P C 0.6712(4) 0.9660(4) 0.0413(2) 0.0222(11) Uani 1 1 d . . . . .
H01P H 0.743696 0.987806 0.014855 0.027 Uiso 1 1 calc R . . . .
C01Q C 0.3806(5) 0.6312(3) -0.0048(2) 0.0204(10) Uani 1 1 d . . . . .
H01Q H 0.347735 0.652404 -0.039568 0.024 Uiso 1 1 calc R . . . .
C01R C 0.5701(4) 1.0312(4) 0.0531(2) 0.0215(10) Uani 1 1 d . . . . .
H01R H 0.573314 1.098037 0.034693 0.026 Uiso 1 1 calc R . . . .
C01S C 0.4926(5) 0.6616(4) -0.0004(2) 0.0217(11) Uani 1 1 d . . . . .
H01S H 0.536396 0.704343 -0.032179 0.026 Uiso 1 1 calc R . . . .
C01T C 0.4422(5) 0.8486(4) 0.3835(2) 0.0279(5) Uani 1 1 d . . . . .
H01T H 0.512043 0.886411 0.368998 0.033 Uiso 1 1 calc R . . . .
C01U C 0.7881(4) 0.5340(4) 0.0953(2) 0.0204(10) Uani 1 1 d . . . . .
H01U H 0.764781 0.486875 0.074228 0.025 Uiso 1 1 calc R . . . .
C01V C 0.7380(5) 0.6412(3) 0.1702(2) 0.0243(11) Uani 1 1 d . . . . .
H01V H 0.680859 0.667873 0.201266 0.029 Uiso 1 1 calc R . . . .
C01W C 0.3308(5) 0.2709(3) 0.3561(2) 0.0214(11) Uani 1 1 d . . . . .
H01W H 0.244021 0.282516 0.359815 0.026 Uiso 1 1 calc R . . . .
F01X F 0.8609(4) 1.0294(3) 0.2600(3) 0.098(2) Uani 1 1 d . . . . .
C01Y C 0.4101(5) 0.3312(3) 0.3152(2) 0.0198(10) Uani 1 1 d . . . . .
C01Z C 0.3615(5) 0.4992(4) 0.4210(2) 0.0315(7) Uani 1 1 d . . . . .
C020 C 0.5883(5) 0.5488(4) 0.2877(2) 0.0284(12) Uani 1 1 d . . . . .
C021 C 0.1614(5) 0.5800(4) 0.3626(2) 0.0286(6) Uani 1 1 d . . . . .
C022 C 0.3345(5) 0.7059(4) 0.3817(2) 0.0279(5) Uani 1 1 d . . . . .
C023 C 0.3644(4) 0.9964(3) 0.2374(2) 0.0159(9) Uani 1 1 d . . . . .
H023 H 0.444522 0.998216 0.213261 0.019 Uiso 1 1 calc R . . . .
C025 C 0.9393(5) 0.6360(4) 0.1093(3) 0.0318(13) Uani 1 1 d . . . . .
H025 H 1.020554 0.657671 0.098933 0.038 Uiso 1 1 calc R . . . .
C026 C 0.5628(6) 0.0890(4) 0.4245(3) 0.0356(14) Uani 1 1 d . . . . .
H02A H 0.503344 0.072292 0.461344 0.053 Uiso 1 1 calc GR . . . .
H02B H 0.637881 0.109564 0.433851 0.053 Uiso 1 1 calc GR . . . .
H02C H 0.583178 0.030915 0.403441 0.053 Uiso 1 1 calc GR . . . .
C027 C 0.3496(5) 0.8806(4) 0.4265(2) 0.0279(5) Uani 1 1 d . . . . .
H027 H 0.342699 0.947100 0.434672 0.033 Uiso 0.5 1 calc R . P B 1
H02D H 0.362950 0.929807 0.448845 0.033 Uiso 0.5 1 calc R . P C 2
C028 C 0.8563(5) 0.6740(4) 0.1536(3) 0.0338(14) Uani 1 1 d . . . . .
H028 H 0.879488 0.723182 0.173279 0.041 Uiso 1 1 calc R . . . .
C029 C 0.3334(5) 1.0501(4) 0.2844(2) 0.0257(11) Uani 1 1 d . . . . .
H029 H 0.392146 1.089198 0.292800 0.031 Uiso 1 1 calc R . . . .
C02A C 0.4896(12) 0.4489(10) 0.4157(6) 0.0315(7) Uani 0.5 1 d . . P D 1
H02E H 0.549848 0.463759 0.380712 0.038 Uiso 0.5 1 calc R . P D 1
C02B C -0.0208(6) 0.2451(5) 0.2886(3) 0.0410(15) Uani 1 1 d . . . . .
H02J H 0.068039 0.255004 0.274367 0.049 Uiso 1 1 calc R . . . .
H02M H -0.041871 0.191470 0.268945 0.049 Uiso 1 1 calc R . . . .
C02E C 0.5185(12) 0.3817(9) 0.4616(5) 0.0315(7) Uani 0.5 1 d . . P D 1
H02F H 0.598695 0.349355 0.459013 0.038 Uiso 0.5 1 calc R . P D 1
C02F C 0.4242(8) 0.3609(7) 0.5142(4) 0.0315(7) Uani 0.6667 1 d . . P D 1
H02G H 0.443355 0.316731 0.547243 0.038 Uiso 0.6667 1 calc R . P D 1
C02G C 0.2625(11) 0.8107(8) 0.4590(5) 0.0279(5) Uani 0.5 1 d . . P E 1
H02H H 0.209779 0.823789 0.495133 0.033 Uiso 0.5 1 calc R . P E 1
C02H C 0.2583(11) 0.7223(8) 0.4354(5) 0.0279(5) Uani 0.5 1 d . . P E 1
H02I H 0.203479 0.673993 0.456132 0.033 Uiso 0.5 1 calc R . P E 1
C02K C 0.3109(8) 0.4036(6) 0.5163(3) 0.0315(7) Uani 0.6667 1 d . . P D 1
H02K H 0.249515 0.386909 0.550525 0.038 Uiso 0.6667 1 calc R . P D 1
C02L C 0.2788(8) 0.4718(7) 0.4702(3) 0.0315(7) Uani 0.6667 1 d . . P D 1
H02L H 0.196308 0.499587 0.473751 0.038 Uiso 0.6667 1 calc R . P D 1
C02M C 0.1521(15) 0.1792(11) 0.5403(7) 0.0550(6) Uani 0.5 1 d . . P A 1
H02N H 0.113677 0.192811 0.580910 0.066 Uiso 0.5 1 calc R . P A 1
H02O H 0.239049 0.196367 0.532337 0.066 Uiso 0.5 1 calc R . P A 1
C9 C 0.3028(16) 0.4738(13) 0.5315(7) 0.0315(7) Uani 0.3333 1 d . . P D 2
H9 H 0.253014 0.486469 0.568361 0.038 Uiso 0.3333 1 calc R . P D 2
C16 C 0.3901(17) 0.4009(14) 0.5313(7) 0.0315(7) Uani 0.3333 1 d . . P D 2
H16 H 0.402191 0.363814 0.567822 0.038 Uiso 0.3333 1 calc R . P D 2
C17 C 0.2808(16) 0.5327(14) 0.4799(7) 0.0315(7) Uani 0.3333 1 d . . P D 2
H17 H 0.222281 0.588137 0.480146 0.038 Uiso 0.3333 1 calc R . P D 2
C35 C 0.4484(12) 0.4381(11) 0.4222(6) 0.0315(7) Uani 0.5 1 d . . P D 2
H35 H 0.505402 0.430877 0.386290 0.038 Uiso 0.5 1 calc R . P D 2
C38 C 0.4689(12) 0.3760(9) 0.4758(5) 0.0315(7) Uani 0.5 1 d . . P D 2
H38 H 0.529811 0.322183 0.475199 0.038 Uiso 0.5 1 calc R . P D 2
Cl5 Cl 0.0778(5) 0.2811(3) 0.5038(2) 0.0550(6) Uani 0.5 1 d . . P F 2
Cl7 Cl 0.1055(4) 0.0651(4) 0.5216(2) 0.0550(6) Uani 0.5 1 d . . P F 2
C0AA C 0.0969(15) 0.1688(11) 0.5546(7) 0.0550(6) Uani 0.5 1 d . . P F 2
H0AA H 0.173069 0.170415 0.570137 0.066 Uiso 0.5 1 calc R . P F 2
H0AB H 0.026551 0.166359 0.588543 0.066 Uiso 0.5 1 calc R . P F 2
C1 C 0.1085(5) 0.4910(4) 0.3827(2) 0.0286(6) Uani 1 1 d . . . . .
H1A H 0.142513 0.434310 0.404354 0.034 Uiso 0.5 1 calc R . P G 1
H1B H 0.165296 0.437257 0.391856 0.034 Uiso 0.5 1 calc R . P H 2
C2 C 0.1112(11) 0.6731(9) 0.3390(5) 0.0286(6) Uani 0.5 1 d . . P I 1
H2 H 0.155877 0.731068 0.329831 0.034 Uiso 0.5 1 calc R . P I 1
C7 C -0.0497(11) 0.6274(11) 0.3382(5) 0.0286(6) Uani 0.5 1 d . . P I 2
H7 H -0.103929 0.674909 0.320508 0.034 Uiso 0.5 1 calc R . P I 2
C8 C -0.0127(11) 0.5013(9) 0.3634(5) 0.0286(6) Uani 0.5 1 d . . P I 1
H8 H -0.053878 0.442387 0.367054 0.034 Uiso 0.5 1 calc R . P I 1
C5 C -0.0681(11) 0.5840(11) 0.3420(6) 0.0286(6) Uani 0.5 1 d . . P I 1
H5 H -0.148906 0.583509 0.334458 0.034 Uiso 0.5 1 calc R . P I 1
C6 C -0.0846(11) 0.5363(9) 0.3648(5) 0.0286(6) Uani 0.5 1 d . . P I 2
H6 H -0.165938 0.521072 0.364392 0.034 Uiso 0.5 1 calc R . P I 2
C3AA C -0.0094(10) 0.6724(9) 0.3302(5) 0.0286(6) Uani 0.5 1 d . . P I 1
H3AA H -0.051361 0.732181 0.316151 0.034 Uiso 0.5 1 calc R . P I 1
C1AA C 0.2368(11) 0.8408(8) 0.4369(5) 0.0279(5) Uani 0.5 1 d . . P E 2
H1AA H 0.166221 0.872289 0.459206 0.033 Uiso 0.5 1 calc R . P E 2
C10 C 0.2277(11) 0.7548(8) 0.4146(5) 0.0279(5) Uani 0.5 1 d . . P E 2
H10 H 0.150004 0.727352 0.420986 0.033 Uiso 0.5 1 calc R . P E 2
C2AA C -0.0133(10) 0.4653(9) 0.3919(5) 0.0286(6) Uani 0.5 1 d . . P I 2
H2AA H -0.042574 0.405522 0.414331 0.034 Uiso 0.5 1 calc R . P I 2
C18 C 0.0778(11) 0.6472(9) 0.3388(5) 0.0286(6) Uani 0.5 1 d . . P I 2
H18 H 0.104491 0.710799 0.321618 0.034 Uiso 0.5 1 calc R . P I 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os01 P05 2.4441(11) . ?
Os01 P006 2.4368(12) . ?
Os01 N00F 2.106(4) . ?
Os01 C00N 2.040(4) . ?
Os01 C00R 1.983(4) . ?
Os01 C020 1.934(5) . ?
Sb02 F00D 1.866(3) . ?
Sb02 F00E 1.862(3) . ?
Sb02 F00H 1.862(3) . ?
Sb02 F00J 1.874(3) . ?
Sb02 F00K 1.862(3) . ?
Sb02 F00P 1.849(3) . ?
Sb03 F00B 1.874(3) . ?
Sb03 F00C 1.869(3) . ?
Sb03 F00I 1.886(3) . ?
Sb03 F00M 1.865(4) . ?
Sb03 F00Q 1.851(4) . ?
Sb03 F01X 1.857(4) . ?
P004 C00L 1.786(4) . ?
P004 C00O 1.796(4) . ?
P004 C00Z 1.791(4) . ?
P004 C015 1.810(4) . ?
P05 C00S 1.843(4) . ?
P05 C00Y 1.833(4) . ?
P05 C017 1.831(4) . ?
P006 C01Z 1.836(5) . ?
P006 C021 1.807(5) . ?
P006 C022 1.822(5) . ?
Cl07 C02B 1.764(6) . ?
Cl08 C02B 1.767(6) . ?
Cl09 C02M 1.740(17) . ?
Cl0A C02M 1.796(16) . ?
N00F N00G 1.329(6) . ?
N00F C01Y 1.434(6) . ?
N00G C013 1.350(6) . ?
C00L C00X 1.405(6) . ?
C00L C011 1.395(6) . ?
C00N C00U 1.411(6) . ?
C00N C013 1.388(6) . ?
C00O C016 1.383(6) . ?
C00O C01L 1.402(6) . ?
C00R C015 1.432(6) . ?
C00S C00V 1.406(6) . ?
C00S C01C 1.392(6) . ?
C00T C012 1.392(6) . ?
C00T C017 1.399(6) . ?
C00U C015 1.395(6) . ?
C00V C01S 1.390(7) . ?
C00W C00Z 1.401(6) . ?
C00W C010 1.379(6) . ?
C00X C01N 1.383(6) . ?
C00Y C01U 1.396(7) . ?
C00Y C01V 1.383(7) . ?
C00Z C023 1.394(6) . ?
C010 C01D 1.387(7) . ?
C011 C01E 1.390(7) . ?
C012 C01H 1.369(7) . ?
C014 C01C 1.390(6) . ?
C014 C01Q 1.392(7) . ?
C016 C01O 1.386(7) . ?
C017 C01M 1.401(6) . ?
C018 C01T 1.387(7) . ?
C018 C022 1.378(7) . ?
C019 C01E 1.373(7) . ?
C019 C01N 1.391(7) . ?
C01A C01G 1.379(7) . ?
C01A C01Y 1.387(7) . ?
C01B C01I 1.392(8) . ?
C01B C01W 1.392(7) . ?
C01D C029 1.389(7) . ?
C01F C01H 1.389(7) . ?
C01F C01M 1.381(7) . ?
C01G C01I 1.393(8) . ?
C01I C026 1.511(7) . ?
C01J C01U 1.385(7) . ?
C01J C025 1.372(8) . ?
O01K C020 1.139(6) . ?
C01L C01R 1.384(7) . ?
C01O C01P 1.390(7) . ?
C01P C01R 1.374(7) . ?
C01Q C01S 1.378(7) . ?
C01T C027 1.367(7) . ?
C01V C028 1.390(7) . ?
C01W C01Y 1.388(7) . ?
C01Z C02A 1.510(15) . ?
C01Z C02L 1.343(10) . ?
C01Z C17 1.580(18) . ?
C01Z C35 1.217(15) . ?
C021 C1 1.379(8) . ?
C021 C2 1.420(14) . ?
C021 C18 1.382(14) . ?
C022 C02H 1.392(12) . ?
C022 C10 1.437(12) . ?
C023 C029 1.376(7) . ?
C025 C028 1.364(8) . ?
C027 C02G 1.445(12) . ?
C027 C1AA 1.377(12) . ?
C02A C02E 1.371(17) . ?
C02E C02F 1.450(14) . ?
C02F C02K 1.331(13) . ?
C02G C02H 1.409(15) . ?
C02K C02L 1.392(11) . ?
C9 C16 1.32(3) . ?
C9 C17 1.39(2) . ?
C16 C38 1.47(2) . ?
C35 C38 1.446(17) . ?
Cl5 C0AA 1.815(16) . ?
Cl7 C0AA 1.698(16) . ?
C1 C8 1.492(12) . ?
C1 C2AA 1.397(12) . ?
C2 C3AA 1.398(16) . ?
C7 C6 1.359(18) . ?
C7 C18 1.471(17) . ?
C8 C5 1.316(19) . ?
C5 C3AA 1.394(17) . ?
C6 C2AA 1.356(18) . ?
C1AA C10 1.377(15) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P006 Os01 P05 177.17(4) . . ?
N00F Os01 P05 93.08(10) . . ?
N00F Os01 P006 84.80(10) . . ?
C00N Os01 P05 90.06(12) . . ?
C00N Os01 P006 91.22(12) . . ?
C00N Os01 N00F 75.38(16) . . ?
C00R Os01 P05 90.07(12) . . ?
C00R Os01 P006 92.65(12) . . ?
C00R Os01 N00F 154.10(17) . . ?
C00R Os01 C00N 78.92(17) . . ?
C020 Os01 P05 89.86(16) . . ?
C020 Os01 P006 88.97(16) . . ?
C020 Os01 N00F 107.0(2) . . ?
C020 Os01 C00N 177.6(2) . . ?
C020 Os01 C00R 98.7(2) . . ?
F00D Sb02 F00J 88.58(17) . . ?
F00E Sb02 F00D 179.12(16) . . ?
F00E Sb02 F00H 89.85(16) . . ?
F00E Sb02 F00J 90.70(16) . . ?
F00H Sb02 F00D 90.89(17) . . ?
F00H Sb02 F00J 177.25(19) . . ?
F00K Sb02 F00D 89.73(19) . . ?
F00K Sb02 F00E 90.76(19) . . ?
F00K Sb02 F00H 88.48(19) . . ?
F00K Sb02 F00J 88.8(2) . . ?
F00P Sb02 F00D 89.66(19) . . ?
F00P Sb02 F00E 89.87(19) . . ?
F00P Sb02 F00H 90.6(2) . . ?
F00P Sb02 F00J 92.0(2) . . ?
F00P Sb02 F00K 178.9(2) . . ?
F00B Sb03 F00I 179.30(16) . . ?
F00C Sb03 F00B 90.55(15) . . ?
F00C Sb03 F00I 88.99(15) . . ?
F00M Sb03 F00B 90.88(16) . . ?
F00M Sb03 F00C 88.3(2) . . ?
F00M Sb03 F00I 89.64(17) . . ?
F00Q Sb03 F00B 89.42(17) . . ?
F00Q Sb03 F00C 90.1(2) . . ?
F00Q Sb03 F00I 90.05(18) . . ?
F00Q Sb03 F00M 178.4(3) . . ?
F00Q Sb03 F01X 91.7(3) . . ?
F01X Sb03 F00B 90.41(17) . . ?
F01X Sb03 F00C 178.0(2) . . ?
F01X Sb03 F00I 90.07(17) . . ?
F01X Sb03 F00M 89.9(3) . . ?
C00L P004 C00O 107.9(2) . . ?
C00L P004 C00Z 112.3(2) . . ?
C00L P004 C015 108.4(2) . . ?
C00O P004 C015 111.0(2) . . ?
C00Z P004 C00O 109.8(2) . . ?
C00Z P004 C015 107.5(2) . . ?
C00S P05 Os01 117.23(14) . . ?
C00Y P05 Os01 113.93(15) . . ?
C00Y P05 C00S 104.0(2) . . ?
C017 P05 Os01 110.76(14) . . ?
C017 P05 C00S 105.1(2) . . ?
C017 P05 C00Y 104.7(2) . . ?
C01Z P006 Os01 117.34(19) . . ?
C021 P006 Os01 109.66(17) . . ?
C021 P006 C01Z 104.8(3) . . ?
C021 P006 C022 103.3(3) . . ?
C022 P006 Os01 117.91(17) . . ?
C022 P006 C01Z 102.2(2) . . ?
N00G N00F Os01 118.0(3) . . ?
N00G N00F C01Y 113.1(4) . . ?
C01Y N00F Os01 128.5(3) . . ?
N00F N00G C013 113.0(4) . . ?
C00X C00L P004 116.3(3) . . ?
C011 C00L P004 123.5(3) . . ?
C011 C00L C00X 120.1(4) . . ?
C00U C00N Os01 116.5(3) . . ?
C013 C00N Os01 115.0(3) . . ?
C013 C00N C00U 128.5(4) . . ?
C016 C00O P004 122.9(3) . . ?
C016 C00O C01L 119.6(4) . . ?
C01L C00O P004 117.4(3) . . ?
C015 C00R Os01 115.9(3) . . ?
C00V C00S P05 119.4(3) . . ?
C01C C00S P05 122.4(3) . . ?
C01C C00S C00V 118.1(4) . . ?
C012 C00T C017 120.1(4) . . ?
C015 C00U C00N 112.6(4) . . ?
C01S C00V C00S 120.4(4) . . ?
C010 C00W C00Z 119.6(4) . . ?
C01N C00X C00L 119.7(4) . . ?
C01U C00Y P05 119.0(3) . . ?
C01V C00Y P05 122.3(4) . . ?
C01V C00Y C01U 118.6(4) . . ?
C00W C00Z P004 119.2(3) . . ?
C023 C00Z P004 120.5(3) . . ?
C023 C00Z C00W 120.3(4) . . ?
C00W C010 C01D 119.8(4) . . ?
C01E C011 C00L 119.3(4) . . ?
C01H C012 C00T 120.4(4) . . ?
N00G C013 C00N 118.6(4) . . ?
C01C C014 C01Q 119.6(4) . . ?
C00R C015 P004 120.5(3) . . ?
C00U C015 P004 123.7(3) . . ?
C00U C015 C00R 115.6(4) . . ?
C00O C016 C01O 120.4(4) . . ?
C00T C017 P05 120.2(3) . . ?
C00T C017 C01M 118.6(4) . . ?
C01M C017 P05 121.1(3) . . ?
C022 C018 C01T 120.2(5) . . ?
C01E C019 C01N 120.8(4) . . ?
C01G C01A C01Y 120.8(5) . . ?
C01I C01B C01W 121.6(5) . . ?
C014 C01C C00S 121.4(4) . . ?
C010 C01D C029 120.6(4) . . ?
C019 C01E C011 120.4(5) . . ?
C01M C01F C01H 119.9(4) . . ?
C01A C01G C01I 120.1(5) . . ?
C012 C01H C01F 120.3(4) . . ?
C01B C01I C01G 118.6(5) . . ?
C01B C01I C026 122.1(5) . . ?
C01G C01I C026 119.2(5) . . ?
C025 C01J C01U 119.9(5) . . ?
C01R C01L C00O 119.3(4) . . ?
C01F C01M C017 120.6(4) . . ?
C00X C01N C019 119.7(4) . . ?
C016 C01O C01P 119.8(5) . . ?
C01R C01P C01O 119.9(4) . . ?
C01S C01Q C014 119.8(4) . . ?
C01P C01R C01L 120.9(4) . . ?
C01Q C01S C00V 120.7(4) . . ?
C027 C01T C018 120.8(5) . . ?
C01J C01U C00Y 120.4(4) . . ?
C00Y C01V C028 120.2(5) . . ?
C01Y C01W C01B 118.7(5) . . ?
C01A C01Y N00F 118.7(4) . . ?
C01A C01Y C01W 120.0(4) . . ?
C01W C01Y N00F 121.2(5) . . ?
C02A C01Z P006 118.5(6) . . ?
C02L C01Z P006 123.8(5) . . ?
C02L C01Z C02A 117.5(7) . . ?
C17 C01Z P006 108.4(7) . . ?
C35 C01Z P006 128.7(7) . . ?
C35 C01Z C17 121.3(9) . . ?
O01K C020 Os01 178.6(5) . . ?
C1 C021 P006 119.6(4) . . ?
C1 C021 C2 131.0(6) . . ?
C1 C021 C18 109.4(7) . . ?
C2 C021 P006 109.1(6) . . ?
C18 C021 P006 129.8(6) . . ?
C018 C022 P006 122.4(4) . . ?
C018 C022 C02H 118.7(6) . . ?
C018 C022 C10 116.1(6) . . ?
C02H C022 P006 115.5(6) . . ?
C10 C022 P006 120.5(5) . . ?
C029 C023 C00Z 119.6(4) . . ?
C028 C025 C01J 120.3(5) . . ?
C01T C027 C02G 118.2(6) . . ?
C01T C027 C1AA 119.3(6) . . ?
C025 C028 C01V 120.4(5) . . ?
C023 C029 C01D 120.0(5) . . ?
C02E C02A C01Z 119.6(10) . . ?
Cl07 C02B Cl08 111.1(3) . . ?
C02A C02E C02F 118.6(11) . . ?
C02K C02F C02E 120.0(9) . . ?
C02H C02G C027 117.7(9) . . ?
C022 C02H C02G 120.0(9) . . ?
C02F C02K C02L 122.5(8) . . ?
C01Z C02L C02K 121.6(8) . . ?
Cl09 C02M Cl0A 110.7(9) . . ?
C16 C9 C17 122.7(17) . . ?
C9 C16 C38 121.5(15) . . ?
C9 C17 C01Z 114.1(15) . . ?
C01Z C35 C38 122.9(12) . . ?
C35 C38 C16 116.1(13) . . ?
Cl7 C0AA Cl5 112.3(9) . . ?
C021 C1 C8 106.3(7) . . ?
C021 C1 C2AA 131.7(7) . . ?
C3AA C2 C021 114.3(10) . . ?
C6 C7 C18 115.4(11) . . ?
C5 C8 C1 126.4(11) . . ?
C8 C5 C3AA 120.5(11) . . ?
C2AA C6 C7 125.7(11) . . ?
C5 C3AA C2 120.1(11) . . ?
C027 C1AA C10 119.0(10) . . ?
C1AA C10 C022 120.8(10) . . ?
C6 C2AA C1 111.7(11) . . ?
C021 C18 C7 124.7(11) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
